CAS No.: 109425-51-6 — Fmoc-His(Trt)-OH (芴甲氧羰基-N-三苯甲基-L-组氨酸)

1. Primary Information

English name:	Fmoc-His(Trt)-OH
CAS No.:	109425-51-6
Molecular formula:	C₄₀H₃₃N₃O₄
Molecular weight:	619.7 g/mol
SMILES:	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)CC(C(=O)O)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5g	特纯，98%	32	2-8℃	in stock	-
Kehua Intelligence	25g	特纯，98%	136	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 80 86 0 1 0 0 0 0 0999 V2000 -3.4239 1.0190 0.7901 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8235 2.1792 1.9596 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2541 4.8954 -0.9829 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2883 6.0113 -0.9589 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 0.3921 -0.5921 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0653 0.7511 -1.6797 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2218 2.5982 -0.2872 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 -0.2349 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2338 -1.1008 1.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3909 -1.0395 0.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1937 -1.8751 0.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 -1.7094 -0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7049 -2.2221 -0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1461 -1.7891 -0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 0.2212 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9429 0.1883 1.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7448 0.2799 1.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6815 1.7343 -0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 1.9814 -1.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6349 -0.4537 0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9169 -2.2479 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9752 -0.1715 -1.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2281 3.2598 -1.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9607 -1.7888 -1.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9327 -2.9401 -1.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 3.6400 -0.4823 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0285 -2.6631 0.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6816 -0.2136 -0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9512 0.9093 2.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2924 -2.2937 -1.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4566 1.0602 -1.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -0.1559 2.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5490 -0.5338 -0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1391 -2.9713 0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2151 -1.1941 -1.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -3.3133 -1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4291 1.9575 0.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0576 -4.0416 0.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8836 0.1907 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 1.2856 3.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3214 -3.6722 -1.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6586 1.4643 -2.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6323 0.2205 3.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -4.5461 -0.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8720 1.0295 -1.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6408 0.9413 4.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9097 4.9615 -0.8307 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5341 -1.6966 2.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5315 0.8183 2.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8822 0.1738 2.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3471 2.4423 -0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8986 0.0532 1.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5257 -1.9894 2.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8314 -1.2267 -1.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7414 3.1515 -2.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 4.0665 -1.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7182 -2.2971 -2.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3073 -3.2130 -2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7172 3.8007 0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 -2.3417 1.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7195 -0.8807 0.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8486 1.2629 1.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3765 -1.6400 -2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5539 1.3936 -2.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9793 -0.7130 1.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5317 -0.0818 -0.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -3.2759 0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9434 -1.2440 -2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0168 -3.8763 -1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8138 2.3409 -1.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9762 -4.7228 1.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8283 -0.1513 -0.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5787 1.8587 3.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -4.0654 -2.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6506 2.1078 -3.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7283 -0.0456 4.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2281 -5.6193 -0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8077 1.3412 -2.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5215 1.2376 5.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6418 5.7692 -1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 37 1 0 0 0 0 2 37 2 0 0 0 0 3 47 1 0 0 0 0 3 80 1 0 0 0 0 4 47 2 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 5 22 1 0 0 0 0 6 19 1 0 0 0 0 6 22 2 0 0 0 0 7 26 1 0 0 0 0 7 37 1 0 0 0 0 7 70 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 9 48 1 0 0 0 0 10 12 1 0 0 0 0 10 20 2 0 0 0 0 11 13 1 0 0 0 0 11 21 2 0 0 0 0 12 13 1 0 0 0 0 12 24 2 0 0 0 0 13 25 2 0 0 0 0 14 27 2 0 0 0 0 14 30 1 0 0 0 0 15 28 2 0 0 0 0 15 31 1 0 0 0 0 16 29 2 0 0 0 0 16 32 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 2 0 0 0 0 18 51 1 0 0 0 0 19 23 1 0 0 0 0 20 33 1 0 0 0 0 20 52 1 0 0 0 0 21 34 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 23 26 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 35 1 0 0 0 0 24 57 1 0 0 0 0 25 36 1 0 0 0 0 25 58 1 0 0 0 0 26 47 1 0 0 0 0 26 59 1 0 0 0 0 27 38 1 0 0 0 0 27 60 1 0 0 0 0 28 39 1 0 0 0 0 28 61 1 0 0 0 0 29 40 1 0 0 0 0 29 62 1 0 0 0 0 30 41 2 0 0 0 0 30 63 1 0 0 0 0 31 42 2 0 0 0 0 31 64 1 0 0 0 0 32 43 2 0 0 0 0 32 65 1 0 0 0 0 33 35 2 0 0 0 0 33 66 1 0 0 0 0 34 36 2 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 38 44 2 0 0 0 0 38 71 1 0 0 0 0 39 45 2 0 0 0 0 39 72 1 0 0 0 0 40 46 2 0 0 0 0 40 73 1 0 0 0 0 41 44 1 0 0 0 0 41 74 1 0 0 0 0 42 45 1 0 0 0 0 42 75 1 0 0 0 0 43 46 1 0 0 0 0 43 76 1 0 0 0 0 44 77 1 0 0 0 0 45 78 1 0 0 0 0 46 79 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-tritylimidazol-4-yl)propanoic acid

4.2 InChI

InChI=1S/C40H33N3O4/c44-38(45)37(42-39(46)47-26-36-34-22-12-10-20-32(34)33-21-11-13-23-35(33)36)24-31-25-43(27-41-31)40(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-23,25,27,36-37H,24,26H2,(H,42,46)(H,44,45)/t37-/m0/s1

4.3 InChIKey

XXMYDXUIZKNHDT-QNGWXLTQSA-N

4.4 Canonical SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)CC(C(=O)O)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

4.5 Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C[C@@H](C(=O)O)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

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)