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

Systemtic Name: 3-[[1-(3-methoxyphenyl)carbonyl-3-phenylmethoxycarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-benzyloxycarbonyl-3-(3-methoxybenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(3-methoxyphenyl)-oxomethyl]-3-phenylmethoxycarbonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(3-methoxybenzoyl)-3-phenylmethoxycarbonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[(1-carbobenzoxy-3-m-anisoyl-imidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propionic acid Formula: C29H28N4O9 MolecularWeight: 576.55402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C29H28N4O9/c1-41-23-12-6-10-21(16-23)28(37)31-13-14-32(29(38)42-18-19-7-3-2-4-8-19)27(31)26(36)30-24(17-25(34)35)20-9-5-11-22(15-20)33(39)40/h2-12,15-16,24,27H,13-14,17-18H2,1H3,(H,30,36)(H,34,35)