(4-methoxyphenyl)methyl (2R)-3-(cyclohexylmethylsulfanyl)-2-(3-methylbutanoylamino)propanoate

Systemtic Name: (4-methoxyphenyl)methyl (2R)-3-(cyclohexylmethylsulfanyl)-2-(3-methylbutanoylamino)propanoate Openeye Name: (4-methoxyphenyl)methyl (2R)-3-(cyclohexylmethylsulfanyl)-2-(3-methylbutanoylamino)propanoate CAS Name: (2R)-3-(cyclohexylmethylthio)-2-[(3-methyl-1-oxobutyl)amino]propanoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (2R)-3-(cyclohexylmethylsulfanyl)-2-(3-methylbutanoylamino)propanoate Traditional Name: (2R)-3-(cyclohexylmethylthio)-2-(isovalerylamino)propionic acid p-anisyl ester Formula: C23H35NO4S MolecularWeight: 421.5933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(CSCC1CCCCC1)C(=O)OCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CC(=O)N[C@@H](CSCC1CCCCC1)C(=O)OCC2=CC=C(C=C2)OC

InChI

InChI=1S/C23H35NO4S/c1-17(2)13-22(25)24-21(16-29-15-19-7-5-4-6-8-19)23(26)28-14-18-9-11-20(27-3)12-10-18/h9-12,17,19,21H,4-8,13-16H2,1-3H3,(H,24,25)/t21-/m0/s1