3-[[1-cyclohexylcarbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinan-2-yl]carbonylamino]-3-(3-methylphenyl)propanoic acid

Systemtic Name: 3-[[1-cyclohexylcarbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinan-2-yl]carbonylamino]-3-(3-methylphenyl)propanoic acid Openeye Name: 3-[[1-benzylsulfonyl-3-(cyclohexanecarbonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-[[[1-[cyclohexyl(oxo)methyl]-3-(phenylmethyl)sulfonyl-1,3-diazinan-2-yl]-oxomethyl]amino]-3-(3-methylphenyl)propanoic acid IUPAC Name: 3-[[1-benzylsulfonyl-3-(cyclohexanecarbonyl)-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[[1-benzylsulfonyl-3-(cyclohexanecarbonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propionic acid Formula: C29H37N3O6S MolecularWeight: 555.68558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2S(=O)(=O)CC3=CC=CC=C3)C(=O)C4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2S(=O)(=O)CC3=CC=CC=C3)C(=O)C4CCCCC4

InChI

InChI=1S/C29H37N3O6S/c1-21-10-8-15-24(18-21)25(19-26(33)34)30-27(35)28-31(29(36)23-13-6-3-7-14-23)16-9-17-32(28)39(37,38)20-22-11-4-2-5-12-22/h2,4-5,8,10-12,15,18,23,25,28H,3,6-7,9,13-14,16-17,19-20H2,1H3,(H,30,35)(H,33,34)