(phenylmethyl) 2-[(2-azanyl-3-cyclohexyl-propanoyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: (phenylmethyl) 2-[(2-azanyl-3-cyclohexyl-propanoyl)amino]-4-methylsulfanyl-butanoate Openeye Name: benzyl 2-[(2-amino-3-cyclohexyl-propanoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[(2-amino-3-cyclohexyl-1-oxopropyl)amino]-4-(methylthio)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-amino-3-cyclohexyl-propanoyl)amino]-4-(methylthio)butyric acid benzyl ester Formula: C21H32N2O3S MolecularWeight: 392.55538

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2CCCCC2)N

Isomeric SMILES

CSCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2CCCCC2)N

InChI

InChI=1S/C21H32N2O3S/c1-27-13-12-19(21(25)26-15-17-10-6-3-7-11-17)23-20(24)18(22)14-16-8-4-2-5-9-16/h3,6-7,10-11,16,18-19H,2,4-5,8-9,12-15,22H2,1H3,(H,23,24)