3-(3-methylphenyl)-3-[[1-(4-methylphenyl)carbonyl-3-phenylmethoxycarbonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(3-methylphenyl)-3-[[1-(4-methylphenyl)carbonyl-3-phenylmethoxycarbonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzyloxycarbonyl-3-(4-methylbenzoyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-(3-methylphenyl)-3-[[[1-[(4-methylphenyl)-oxomethyl]-3-phenylmethoxycarbonyl-1,3-diazinan-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-(4-methylbenzoyl)-3-phenylmethoxycarbonyl-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[(1-carbobenzoxy-3-p-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=C(C=C1)C(=O)N2CCCN(C2C(=O)NC(CC(=O)O)C3=CC=CC(=C3)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NC(CC(=O)O)C3=CC=CC(=C3)C)C(=O)OCC4=CC=CC=C4

InChI

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