2-[[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-[(4-phenylphenyl)carbamoylamino]propanoic acid

Systemtic Name: 2-[[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-[(4-phenylphenyl)carbamoylamino]propanoic acid Openeye Name: 2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[(4-phenylphenyl)carbamoylamino]propanoic acid CAS Name: 2-[[[1-(4-nitrophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-[[oxo-(4-phenylanilino)methyl]amino]propanoic acid IUPAC Name: 2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[(4-phenylphenyl)carbamoylamino]propanoic acid Traditional Name: 2-[(1-nosylprolyl)amino]-3-[(4-phenylphenyl)carbamoylamino]propionic acid Formula: C27H27N5O8S MolecularWeight: 581.59698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC(CNC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC(CNC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H27N5O8S/c33-25(24-7-4-16-31(24)41(39,40)22-14-12-21(13-15-22)32(37)38)30-23(26(34)35)17-28-27(36)29-20-10-8-19(9-11-20)18-5-2-1-3-6-18/h1-3,5-6,8-15,23-24H,4,7,16-17H2,(H,30,33)(H,34,35)(H2,28,29,36)