3-(3-methylphenyl)-3-[[1-(5-methyl-2-propan-2-yl-cyclohexyl)oxycarbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(3-methylphenyl)-3-[[1-(5-methyl-2-propan-2-yl-cyclohexyl)oxycarbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(2-isopropyl-5-methyl-cyclohexoxy)carbonyl-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-(3-methylphenyl)-3-[[[1-[(5-methyl-2-propan-2-ylcyclohexyl)oxy-oxomethyl]-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(3-methylphenyl)-3-[[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-(2-isopropyl-5-methyl-cyclohexoxy)carbonyl-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propionic acid Formula: C30H41N3O7S2 MolecularWeight: 619.79244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NC(CC(=O)O)C3=CC=CC(=C3)C)S(=O)(=O)C4=CC=CS4)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)N2CCCN(C2C(=O)NC(CC(=O)O)C3=CC=CC(=C3)C)S(=O)(=O)C4=CC=CS4)C(C)C

InChI

InChI=1S/C30H41N3O7S2/c1-19(2)23-12-11-21(4)17-25(23)40-30(37)32-13-7-14-33(42(38,39)27-10-6-15-41-27)29(32)28(36)31-24(18-26(34)35)22-9-5-8-20(3)16-22/h5-6,8-10,15-16,19,21,23-25,29H,7,11-14,17-18H2,1-4H3,(H,31,36)(H,34,35)