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

Systemtic Name: 3-[(1-cyclopropylcarbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl)carbonylamino]-3-(3-methylphenyl)propanoic acid Openeye Name: 3-[[1-(cyclopropanecarbonyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-[[[1-[cyclopropyl(oxo)methyl]-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]-oxomethyl]amino]-3-(3-methylphenyl)propanoic acid IUPAC Name: 3-[[1-(cyclopropanecarbonyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid Traditional Name: 3-[[1-(cyclopropanecarbonyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propionic acid Formula: C23H27N3O6S2 MolecularWeight: 505.60698

Click to see the large picture

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)C4CC4

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2S(=O)(=O)C3=CC=CS3)C(=O)C4CC4

InChI

InChI=1S/C23H27N3O6S2/c1-15-5-2-6-17(13-15)18(14-19(27)28)24-21(29)22-25(23(30)16-8-9-16)10-4-11-26(22)34(31,32)20-7-3-12-33-20/h2-3,5-7,12-13,16,18,22H,4,8-11,14H2,1H3,(H,24,29)(H,27,28)