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

Systemtic Name: 3-[[1-cyclopropylcarbonyl-3-(4-methylphenyl)carbonyl-1,3-diazinan-2-yl]carbonylamino]-3-(3-methylphenyl)propanoic acid Openeye Name: 3-[[1-(cyclopropanecarbonyl)-3-(4-methylbenzoyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-[[[1-[cyclopropyl(oxo)methyl]-3-[(4-methylphenyl)-oxomethyl]-1,3-diazinan-2-yl]-oxomethyl]amino]-3-(3-methylphenyl)propanoic acid IUPAC Name: 3-[[1-(cyclopropanecarbonyl)-3-(4-methylbenzoyl)-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[[1-(cyclopropanecarbonyl)-3-p-toluoyl-hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propionic acid Formula: C27H31N3O5 MolecularWeight: 477.55214

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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)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NC(CC(=O)O)C3=CC=CC(=C3)C)C(=O)C4CC4

InChI

InChI=1S/C27H31N3O5/c1-17-7-9-19(10-8-17)26(34)29-13-4-14-30(27(35)20-11-12-20)25(29)24(33)28-22(16-23(31)32)21-6-3-5-18(2)15-21/h3,5-10,15,20,22,25H,4,11-14,16H2,1-2H3,(H,28,33)(H,31,32)