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

Systemtic Name: 3-[[1-[(3-methylphenyl)carbamoyl]-3-phenylmethoxycarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-benzyloxycarbonyl-3-(m-tolylcarbamoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(3-methylanilino)-oxomethyl]-3-phenylmethoxycarbonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-[(3-methylphenyl)carbamoyl]-3-phenylmethoxycarbonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-carbobenzoxy-3-(m-tolylcarbamoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C29H29N5O8 MolecularWeight: 575.56926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=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

CC1=CC(=CC=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/C29H29N5O8/c1-19-7-5-11-22(15-19)30-28(38)32-13-14-33(29(39)42-18-20-8-3-2-4-9-20)27(32)26(37)31-24(17-25(35)36)21-10-6-12-23(16-21)34(40)41/h2-12,15-16,24,27H,13-14,17-18H2,1H3,(H,30,38)(H,31,37)(H,35,36)