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

Systemtic Name: methyl 2-[[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]-2-(o-tolyl)benzoyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[[4-[[3-cyclohexyl-1-(5-thiazolyl)propoxy]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]-2-(2-methylphenyl)benzoyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]-2-(o-tolyl)benzoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C31H38N2O5S MolecularWeight: 550.70882

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C31H38N2O5S/c1-21-8-6-7-11-24(21)26-16-23(12-14-25(26)30(35)33-27(18-34)31(36)37-2)19-38-28(29-17-32-20-39-29)15-13-22-9-4-3-5-10-22/h6-8,11-12,14,16-17,20,22,27-28,34H,3-5,9-10,13,15,18-19H2,1-2H3,(H,33,35)