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

Systemtic Name: 3-[[1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]carbonylamino]-3-(3-methylphenyl)propanoic acid Openeye Name: 3-[[1-(2-cyclopentyl-2-phenyl-acetyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-[[[1-(2-cyclopentyl-1-oxo-2-phenylethyl)-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]-oxomethyl]amino]-3-(3-methylphenyl)propanoic acid IUPAC Name: 3-[[1-(2-cyclopentyl-2-phenylacetyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[[1-(2-cyclopentyl-2-phenyl-acetyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propionic acid Formula: C32H37N3O6S2 MolecularWeight: 623.78268

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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)C(C4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2S(=O)(=O)C3=CC=CS3)C(=O)C(C4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C32H37N3O6S2/c1-22-10-7-15-25(20-22)26(21-27(36)37)33-30(38)31-34(17-9-18-35(31)43(40,41)28-16-8-19-42-28)32(39)29(24-13-5-6-14-24)23-11-3-2-4-12-23/h2-4,7-8,10-12,15-16,19-20,24,26,29,31H,5-6,9,13-14,17-18,21H2,1H3,(H,33,38)(H,36,37)