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

Systemtic Name: 3-(3-methylphenyl)-3-[[1-(3-phenylpropanoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid Openeye Name: 3-(m-tolyl)-3-[[1-(3-phenylpropanoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(3-methylphenyl)-3-[[oxo-[1-(1-oxo-3-phenylpropyl)-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]methyl]amino]propanoic acid IUPAC Name: 3-(3-methylphenyl)-3-[[1-(3-phenylpropanoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-hydrocinnamoyl-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propionic acid Formula: C28H31N3O6S2 MolecularWeight: 569.69224

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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)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2S(=O)(=O)C3=CC=CS3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O6S2/c1-20-8-5-11-22(18-20)23(19-25(33)34)29-27(35)28-30(24(32)14-13-21-9-3-2-4-10-21)15-7-16-31(28)39(36,37)26-12-6-17-38-26/h2-6,8-12,17-18,23,28H,7,13-16,19H2,1H3,(H,29,35)(H,33,34)