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

Systemtic Name: 3-[[1-(3-cyclopentylpropanoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]carbonylamino]-3-(3-methylphenyl)propanoic acid Openeye Name: 3-[[1-(3-cyclopentylpropanoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-[[[1-(3-cyclopentyl-1-oxopropyl)-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]-oxomethyl]amino]-3-(3-methylphenyl)propanoic acid IUPAC Name: 3-[[1-(3-cyclopentylpropanoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[[1-(3-cyclopentylpropanoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propionic acid Formula: C27H35N3O6S2 MolecularWeight: 561.7133

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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)CCC4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2S(=O)(=O)C3=CC=CS3)C(=O)CCC4CCCC4

InChI

InChI=1S/C27H35N3O6S2/c1-19-7-4-10-21(17-19)22(18-24(32)33)28-26(34)27-29(23(31)13-12-20-8-2-3-9-20)14-6-15-30(27)38(35,36)25-11-5-16-37-25/h4-5,7,10-11,16-17,20,22,27H,2-3,6,8-9,12-15,18H2,1H3,(H,28,34)(H,32,33)