3-[[1-(3-methoxyphenyl)carbonyl-3-phenylmethoxycarbonyl-1,3-diazinan-2-yl]carbonylamino]-3-(3-methylphenyl)propanoic acid

Systemtic Name: 3-[[1-(3-methoxyphenyl)carbonyl-3-phenylmethoxycarbonyl-1,3-diazinan-2-yl]carbonylamino]-3-(3-methylphenyl)propanoic acid Openeye Name: 3-[[1-benzyloxycarbonyl-3-(3-methoxybenzoyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-[[[1-[(3-methoxyphenyl)-oxomethyl]-3-phenylmethoxycarbonyl-1,3-diazinan-2-yl]-oxomethyl]amino]-3-(3-methylphenyl)propanoic acid IUPAC Name: 3-[[1-(3-methoxybenzoyl)-3-phenylmethoxycarbonyl-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[(1-carbobenzoxy-3-m-anisoyl-hexahydropyrimidine-2-carbonyl)amino]-3-(m-tolyl)propionic acid Formula: C31H33N3O7 MolecularWeight: 559.60962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2C(=O)OCC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2C(=O)OCC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C31H33N3O7/c1-21-9-6-12-23(17-21)26(19-27(35)36)32-28(37)29-33(30(38)24-13-7-14-25(18-24)40-2)15-8-16-34(29)31(39)41-20-22-10-4-3-5-11-22/h3-7,9-14,17-18,26,29H,8,15-16,19-20H2,1-2H3,(H,32,37)(H,35,36)