(2R)-2-[[2-[(4-nitrophenyl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-[(4-nitrophenyl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[(4-nitrobenzoyl)amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[4-mercapto-2-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(4-nitrobenzoyl)amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[4-mercapto-2-[(4-nitrobenzoyl)amino]butanoyl]amino]-3-phenyl-propionic acid Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCS)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6S/c24-18(14-6-8-15(9-7-14)23(28)29)21-16(10-11-30)19(25)22-17(20(26)27)12-13-4-2-1-3-5-13/h1-9,16-17,30H,10-12H2,(H,21,24)(H,22,25)(H,26,27)/t16?,17-/m1/s1