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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2C(=O)C3=CC(=CC=C3)C)C(=O)C4CC4

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2C(=O)C3=CC(=CC=C3)C)C(=O)C4CC4

InChI

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