CAS No.: 71989-35-0 — Fmoc-Thr(tBu)-OH (芴甲氧羰基-O-叔丁基-L-苏氨酸)

1. Primary Information

English name:	Fmoc-Thr(tBu)-OH
CAS No.:	71989-35-0
Molecular formula:	C₂₃H₂₇NO₅
Molecular weight:	397.5 g/mol
SMILES:	CC(C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(C)(C)C
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	特纯，98%	20	2-8℃	in stock	-
Kehua Intelligence	5g	特纯，98%	32	2-8℃	in stock	-
Kehua Intelligence	25g	特纯，98%	119	2-8℃	in stock	-
Kehua Intelligence	100g	特纯，98%	464	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 56 58 0 1 0 0 0 0 0999 V2000 4.8569 -0.6537 -1.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6557 0.0029 0.9097 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1558 2.6092 -0.3591 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2067 -0.0177 2.2534 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1639 2.0321 -1.2442 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3773 0.2275 -0.0473 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9357 -0.2091 1.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3274 1.0050 0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2103 -1.3461 0.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 0.6034 -0.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7102 -0.8392 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4829 -0.1648 2.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4335 -0.7529 -1.0343 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3721 -0.7189 0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2958 2.3414 1.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0442 -2.7071 0.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8157 0.3269 -0.1404 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2010 1.5435 -1.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0394 -1.6964 -1.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7178 3.2884 0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 -3.5705 -0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1653 2.8935 -1.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8679 -3.0700 -1.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9429 -0.6768 -2.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4335 -1.5778 1.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7585 -1.3546 0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4626 0.7009 0.8512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6967 0.0639 1.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1356 1.7169 -0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6177 -0.2983 2.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2144 -1.0933 2.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3293 0.6761 2.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1105 -1.7555 -0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1081 0.3627 0.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9551 2.6504 2.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -3.0982 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5513 1.2540 -2.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4223 -1.3253 -2.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7020 4.3439 0.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2543 -4.6428 -0.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 0.2585 -2.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8575 -0.7884 -2.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4041 -1.4769 -3.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4894 3.6488 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1198 -3.7615 -2.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8259 0.3265 -0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3974 -1.3514 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8866 -1.6737 2.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4221 -2.6040 0.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2166 -1.4602 1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7074 -2.3460 -0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4260 -0.7541 -0.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1931 0.6813 1.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9018 1.3855 0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6191 1.1807 1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3734 3.5113 -0.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 12 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 56 1 0 0 0 0 4 28 2 0 0 0 0 5 29 2 0 0 0 0 6 17 1 0 0 0 0 6 28 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 15 2 0 0 0 0 9 11 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 18 2 0 0 0 0 11 19 2 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 13 24 1 0 0 0 0 13 33 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 20 1 0 0 0 0 15 35 1 0 0 0 0 16 21 1 0 0 0 0 16 36 1 0 0 0 0 17 29 1 0 0 0 0 17 34 1 0 0 0 0 18 22 1 0 0 0 0 18 37 1 0 0 0 0 19 23 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid

4.2 InChI

InChI=1S/C23H27NO5/c1-14(29-23(2,3)4)20(21(25)26)24-22(27)28-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,13H2,1-4H3,(H,24,27)(H,25,26)/t14-,20+/m1/s1

4.3 InChIKey

LZOLWEQBVPVDPR-VLIAUNLRSA-N

4.4 Canonical SMILES

CC(C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(C)(C)C

4.5 Isomeric SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(C)(C)C

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)