3-[[1-(3-methylphenyl)carbonyl-3-phenylmethoxycarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[[1-(3-methylphenyl)carbonyl-3-phenylmethoxycarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-benzyloxycarbonyl-3-(3-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(3-methylphenyl)-oxomethyl]-3-phenylmethoxycarbonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(3-methylbenzoyl)-3-phenylmethoxycarbonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[(1-carbobenzoxy-3-m-toluoyl-imidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propionic acid Formula: C29H28N4O8 MolecularWeight: 560.55462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H28N4O8/c1-19-7-5-11-22(15-19)28(37)31-13-14-32(29(38)41-18-20-8-3-2-4-9-20)27(31)26(36)30-24(17-25(34)35)21-10-6-12-23(16-21)33(39)40/h2-12,15-16,24,27H,13-14,17-18H2,1H3,(H,30,36)(H,34,35)