(2R)-2-[[2-[(7-nitro-1H-indol-2-yl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-[(7-nitro-1H-indol-2-yl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[(7-nitro-1H-indole-2-carbonyl)amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[4-mercapto-2-[[(7-nitro-1H-indol-2-yl)-oxomethyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(7-nitro-1H-indole-2-carbonyl)amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[4-mercapto-2-[(7-nitro-1H-indole-2-carbonyl)amino]butanoyl]amino]-3-phenyl-propionic acid Formula: C22H22N4O6S MolecularWeight: 470.49828

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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=CC3=C(N2)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)C2=CC3=C(N2)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6S/c27-20(25-17(22(29)30)11-13-5-2-1-3-6-13)15(9-10-33)24-21(28)16-12-14-7-4-8-18(26(31)32)19(14)23-16/h1-8,12,15,17,23,33H,9-11H2,(H,24,28)(H,25,27)(H,29,30)/t15?,17-/m1/s1