3-[[1-[(4-methoxyphenyl)carbamoyl]-3-phenylmethoxycarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[[1-[(4-methoxyphenyl)carbamoyl]-3-phenylmethoxycarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-benzyloxycarbonyl-3-[(4-methoxyphenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(4-methoxyanilino)-oxomethyl]-3-phenylmethoxycarbonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-[(4-methoxyphenyl)carbamoyl]-3-phenylmethoxycarbonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-carbobenzoxy-3-[(4-methoxyphenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C29H29N5O9 MolecularWeight: 591.56866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=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=C(C=C1)NC(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H29N5O9/c1-42-23-12-10-21(11-13-23)30-28(38)32-14-15-33(29(39)43-18-19-6-3-2-4-7-19)27(32)26(37)31-24(17-25(35)36)20-8-5-9-22(16-20)34(40)41/h2-13,16,24,27H,14-15,17-18H2,1H3,(H,30,38)(H,31,37)(H,35,36)