3-[[1-(6-chloranylpyridin-3-yl)carbonyl-3-[(4-methoxyphenyl)carbamoyl]-1,3-diazinan-2-yl]carbonylamino]-3-(3-methylphenyl)propanoic acid

Systemtic Name: 3-[[1-(6-chloranylpyridin-3-yl)carbonyl-3-[(4-methoxyphenyl)carbamoyl]-1,3-diazinan-2-yl]carbonylamino]-3-(3-methylphenyl)propanoic acid Openeye Name: 3-[[1-(6-chloropyridine-3-carbonyl)-3-[(4-methoxyphenyl)carbamoyl]hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-[[[1-[(6-chloro-3-pyridinyl)-oxomethyl]-3-[(4-methoxyanilino)-oxomethyl]-1,3-diazinan-2-yl]-oxomethyl]amino]-3-(3-methylphenyl)propanoic acid IUPAC Name: 3-[[1-(6-chloropyridine-3-carbonyl)-3-[(4-methoxyphenyl)carbamoyl]-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[[1-(6-chloronicotinoyl)-3-[(4-methoxyphenyl)carbamoyl]hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propionic acid Formula: C29H30ClN5O6 MolecularWeight: 580.0314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2C(=O)NC3=CC=C(C=C3)OC)C(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2C(=O)NC3=CC=C(C=C3)OC)C(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C29H30ClN5O6/c1-18-5-3-6-19(15-18)23(16-25(36)37)33-26(38)27-34(28(39)20-7-12-24(30)31-17-20)13-4-14-35(27)29(40)32-21-8-10-22(41-2)11-9-21/h3,5-12,15,17,23,27H,4,13-14,16H2,1-2H3,(H,32,40)(H,33,38)(H,36,37)