2-[[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]-2-(o-tolyl)benzoyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[[4-[[3-cyclohexyl-1-(5-thiazolyl)propoxy]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]-2-(2-methylphenyl)benzoyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]-2-(o-tolyl)benzoyl]amino]-3-hydroxy-propionic acid Formula: C30H36N2O5S MolecularWeight: 536.68224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CCC3CCCCC3)C4=CN=CS4)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CCC3CCCCC3)C4=CN=CS4)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C30H36N2O5S/c1-20-7-5-6-10-23(20)25-15-22(11-13-24(25)29(34)32-26(17-33)30(35)36)18-37-27(28-16-31-19-38-28)14-12-21-8-3-2-4-9-21/h5-7,10-11,13,15-16,19,21,26-27,33H,2-4,8-9,12,14,17-18H2,1H3,(H,32,34)(H,35,36)