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

Systemtic Name: (2R)-2-[[2-[(4-nitro-3-oxidanyl-phenyl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[(3-hydroxy-4-nitro-benzoyl)amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-[[(3-hydroxy-4-nitrophenyl)-oxomethyl]amino]-4-mercapto-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(3-hydroxy-4-nitrobenzoyl)amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-[(3-hydroxy-4-nitro-benzoyl)amino]-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C20H21N3O7S MolecularWeight: 447.46164

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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-])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-])O

InChI

InChI=1S/C20H21N3O7S/c24-17-11-13(6-7-16(17)23(29)30)18(25)21-14(8-9-31)19(26)22-15(20(27)28)10-12-4-2-1-3-5-12/h1-7,11,14-15,24,31H,8-10H2,(H,21,25)(H,22,26)(H,27,28)/t14?,15-/m1/s1