methyl 4-methyl-2-[4-(4-methylsulfanylphenyl)butanoylamino]-2-oxidanyl-3-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: methyl 4-methyl-2-[4-(4-methylsulfanylphenyl)butanoylamino]-2-oxidanyl-3-(phenylmethoxycarbonylamino)pentanoate Openeye Name: methyl 3-(benzyloxycarbonylamino)-2-hydroxy-4-methyl-2-[4-(4-methylsulfanylphenyl)butanoylamino]pentanoate CAS Name: 2-hydroxy-4-methyl-2-[[4-[4-(methylthio)phenyl]-1-oxobutyl]amino]-3-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl 2-hydroxy-4-methyl-2-[4-(4-methylsulfanylphenyl)butanoylamino]-3-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 3-(benzyloxycarbonylamino)-2-hydroxy-4-methyl-2-[4-[4-(methylthio)phenyl]butanoylamino]valeric acid methyl ester Formula: C26H34N2O6S MolecularWeight: 502.62296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(=O)OC)(NC(=O)CCCC1=CC=C(C=C1)SC)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(C(=O)OC)(NC(=O)CCCC1=CC=C(C=C1)SC)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H34N2O6S/c1-18(2)23(27-25(31)34-17-20-9-6-5-7-10-20)26(32,24(30)33-3)28-22(29)12-8-11-19-13-15-21(35-4)16-14-19/h5-7,9-10,13-16,18,23,32H,8,11-12,17H2,1-4H3,(H,27,31)(H,28,29)