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

Systemtic Name: 3-[(1-cyclohexylcarbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl)carbonylamino]-3-(3-methylphenyl)propanoic acid Openeye Name: 3-[[1-(cyclohexanecarbonyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-[[[1-[cyclohexyl(oxo)methyl]-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]-oxomethyl]amino]-3-(3-methylphenyl)propanoic acid IUPAC Name: 3-[[1-(cyclohexanecarbonyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[[1-(cyclohexanecarbonyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propionic acid Formula: C26H33N3O6S2 MolecularWeight: 547.68672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2S(=O)(=O)C3=CC=CS3)C(=O)C4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2S(=O)(=O)C3=CC=CS3)C(=O)C4CCCCC4

InChI

InChI=1S/C26H33N3O6S2/c1-18-8-5-11-20(16-18)21(17-22(30)31)27-24(32)25-28(26(33)19-9-3-2-4-10-19)13-7-14-29(25)37(34,35)23-12-6-15-36-23/h5-6,8,11-12,15-16,19,21,25H,2-4,7,9-10,13-14,17H2,1H3,(H,27,32)(H,30,31)