| CAS Number: 131724-45-3 (S)-2-((tert-butoxycarbonyl)amino)-3-(4-cyanophenyl)propanoic acid |
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| General Information | ||||||
| Product Number: 131724453
CAS Registry Number:
131724-45-3
Name:
L-Phenylalanine, 4-cyano-N-[(1,1-dimethylethoxy)carbonyl]-
(2S)-2-[(tert-Butoxycarbonyl)amino]-3-(4-cyanophenyl)propionic acid; (2S)-3-(4-Cyanophenyl)-2-(tert-butoxycarbonylamino)propanoic acid; (S)-2-[(tert-Butoxycarbonyl)amino]-3-(4-cyanophenyl)propanoic acid; (S)-2-[(tert-Butoxycarbonyl)amino]-3-(4-cyanophenyl)propionic acid
Chemical Formula: C15H18N2O4
Exact Mass: 290.13
Molecular Weight: 290.31
m/z: 290.13 (100.0%), 291.13 (16.6%), 292.13 (2.2%)
Elemental Analysis: C, 62.06; H, 6.25; N, 9.65; O, 22.04
InChI: InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-4-6-11(9-16)7-5-10/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKey: RMBLTLXJGNILPG-LBPRGKRZSA-N
Canonical SMILES : CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C#N)C(=O)O
Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C#N)C(=O)O
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Specification |
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98% |
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| References | ||||||
PCT Int. Appl. (2013), WO 2013090454 A2 20130620. PCT Int. Appl. (2013), WO 2013041497 A1 20130328. |
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