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

Systemtic Name: 3-[(4-methoxyphenyl)methylcarbamoylamino]-2-[[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[(4-methoxyphenyl)methylcarbamoylamino]-2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[(4-methoxyphenyl)methylamino]-oxomethyl]amino]-2-[[[1-(4-nitrophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(4-methoxyphenyl)methylcarbamoylamino]-2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 2-[(1-nosylprolyl)amino]-3-(p-anisylcarbamoylamino)propionic acid Formula: C23H27N5O9S MolecularWeight: 549.55358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)NCC(C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)NCC(C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O9S/c1-37-17-8-4-15(5-9-17)13-24-23(32)25-14-19(22(30)31)26-21(29)20-3-2-12-27(20)38(35,36)18-10-6-16(7-11-18)28(33)34/h4-11,19-20H,2-3,12-14H2,1H3,(H,26,29)(H,30,31)(H2,24,25,32)