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

Systemtic Name: 2-[[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-(phenylcarbamoylamino)propanoic acid Openeye Name: 2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(phenylcarbamoylamino)propanoic acid CAS Name: 3-[[anilino(oxo)methyl]amino]-2-[[[1-(4-nitrophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(phenylcarbamoylamino)propanoic acid Traditional Name: 2-[(1-nosylprolyl)amino]-3-(phenylcarbamoylamino)propionic acid Formula: C21H23N5O8S MolecularWeight: 505.50102

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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=CC=C3)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=CC=C3)C(=O)O

InChI

InChI=1S/C21H23N5O8S/c27-19(24-17(20(28)29)13-22-21(30)23-14-5-2-1-3-6-14)18-7-4-12-25(18)35(33,34)16-10-8-15(9-11-16)26(31)32/h1-3,5-6,8-11,17-18H,4,7,12-13H2,(H,24,27)(H,28,29)(H2,22,23,30)