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

Systemtic Name: 3-(3-methylphenyl)-3-[[1-(3-methylphenyl)carbonyl-3-phenylmethoxycarbonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzyloxycarbonyl-3-(3-methylbenzoyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-(3-methylphenyl)-3-[[[1-[(3-methylphenyl)-oxomethyl]-3-phenylmethoxycarbonyl-1,3-diazinan-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-(3-methylbenzoyl)-3-phenylmethoxycarbonyl-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[(1-carbobenzoxy-3-m-toluoyl-hexahydropyrimidine-2-carbonyl)amino]-3-(m-tolyl)propionic acid Formula: C31H33N3O6 MolecularWeight: 543.61022

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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)C

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)C

InChI

InChI=1S/C31H33N3O6/c1-21-9-6-13-24(17-21)26(19-27(35)36)32-28(37)29-33(30(38)25-14-7-10-22(2)18-25)15-8-16-34(29)31(39)40-20-23-11-4-3-5-12-23/h3-7,9-14,17-18,26,29H,8,15-16,19-20H2,1-2H3,(H,32,37)(H,35,36)