CAS No.: 154445-77-9 — Fmoc-Arg(Pbf)-OH (Nα-FMOC-Nω-PBF-L-精氨酸)

1. Primary Information

English name:	Fmoc-Arg(Pbf)-OH
CAS No.:	154445-77-9
Molecular formula:	C₃₄H₄₀N₄O₇S
Molecular weight:	648.8 g/mol
SMILES:	CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCCC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5g	BR，98%	48	-20℃	in stock	-
Kehua Intelligence	25g	BR，98%	208	-20℃	in stock	-
Kehua Intelligence	100g	BR，98%	800	-20℃	in stock	-
Kehua Intelligence	500g	BR，98%	3680	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 86 90 0 1 0 0 0 0 0999 V2000 5.2039 -0.2665 -1.5915 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1094 -3.7194 0.8493 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5179 0.8875 -2.1398 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0238 -1.1071 -2.4427 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0067 1.4604 0.4828 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 3.5999 1.3175 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7617 5.9794 -0.2452 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4742 4.3201 -1.7663 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 0.2121 -0.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4003 1.2868 0.9530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 2.6317 0.3955 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6104 1.0853 1.8715 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0814 -2.9040 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2451 -1.7874 -0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7238 -1.8560 -0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1386 -2.9838 0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6422 -1.0117 -0.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4744 -3.3164 0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1873 -3.8226 0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -2.3250 2.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9994 -1.3231 -0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4128 -2.4693 -0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1733 0.1903 -1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8634 -0.0414 0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8855 -4.5417 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8690 -2.7985 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1992 -0.4032 1.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1939 -0.1345 -1.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1590 -0.6820 0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5423 -0.5171 -1.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3759 1.3432 0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5161 -0.4916 2.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3576 0.0858 -2.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4512 -1.0438 0.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0660 -0.6730 -2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6323 0.9140 0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8183 -0.8558 2.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8857 -0.0714 -3.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7768 -1.1285 1.7553 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 -0.4461 -3.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2781 3.2851 0.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8305 3.7408 0.5742 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4856 2.3725 1.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9544 1.9956 2.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4014 2.6563 0.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6797 4.6738 -0.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1415 -0.8153 -0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -2.0193 -1.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3895 -4.6325 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1173 -3.2723 -0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -4.3032 -0.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6463 -3.1267 2.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3137 -1.6937 2.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3955 -1.7261 1.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4747 1.1158 -1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4531 0.1405 -2.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0785 0.2395 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1299 -0.8203 0.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3601 -5.2622 0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0324 -5.0541 1.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5674 -4.2904 2.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0554 -3.7930 0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3778 -2.1099 0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3719 -2.8377 -0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4649 1.4741 1.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9572 2.1341 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0934 -0.1120 -0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7782 -0.2888 3.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 0.3667 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2017 -1.2596 -0.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0990 -0.9642 -2.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0951 -0.9319 3.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2524 0.0953 -4.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7843 -1.4108 2.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6158 -0.5630 -4.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 4.1800 0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6408 2.8125 -0.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4974 4.2864 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1382 2.8786 2.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8893 1.4594 1.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0568 1.3530 3.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5479 2.9044 2.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2588 1.8021 -0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5510 0.7366 1.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4344 1.5598 2.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6477 6.5821 -1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 1 21 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 5 31 1 0 0 0 0 5 45 1 0 0 0 0 6 45 2 0 0 0 0 7 46 1 0 0 0 0 7 86 1 0 0 0 0 8 46 2 0 0 0 0 9 36 1 0 0 0 0 9 67 1 0 0 0 0 10 36 2 0 0 0 0 10 44 1 0 0 0 0 11 42 1 0 0 0 0 11 45 1 0 0 0 0 11 83 1 0 0 0 0 12 36 1 0 0 0 0 12 84 1 0 0 0 0 12 85 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 21 2 0 0 0 0 17 23 1 0 0 0 0 18 22 2 0 0 0 0 18 25 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 22 26 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 24 31 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 29 1 0 0 0 0 27 32 2 0 0 0 0 28 30 1 0 0 0 0 28 33 2 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 35 2 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 37 1 0 0 0 0 32 68 1 0 0 0 0 33 38 1 0 0 0 0 33 69 1 0 0 0 0 34 39 1 0 0 0 0 34 70 1 0 0 0 0 35 40 1 0 0 0 0 35 71 1 0 0 0 0 37 39 2 0 0 0 0 37 72 1 0 0 0 0 38 40 2 0 0 0 0 38 73 1 0 0 0 0 39 74 1 0 0 0 0 40 75 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 76 1 0 0 0 0 41 77 1 0 0 0 0 42 46 1 0 0 0 0 42 78 1 0 0 0 0 43 44 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 44 81 1 0 0 0 0 44 82 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid

4.2 InChI

InChI=1S/C34H40N4O7S/c1-19-20(2)30(21(3)26-17-34(4,5)45-29(19)26)46(42,43)38-32(35)36-16-10-15-28(31(39)40)37-33(41)44-18-27-24-13-8-6-11-22(24)23-12-7-9-14-25(23)27/h6-9,11-14,27-28H,10,15-18H2,1-5H3,(H,37,41)(H,39,40)(H3,35,36,38)/t28-/m0/s1

4.3 InChIKey

HNICLNKVURBTKV-NDEPHWFRSA-N

4.4 Canonical SMILES

CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCCC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C

4.5 Isomeric SMILES

CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)