methyl 2-[[3-methyl-2-[(phenylmethyl)sulfonylamino]pentanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[3-methyl-2-[(phenylmethyl)sulfonylamino]pentanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-(benzylsulfonylamino)-3-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[3-methyl-1-oxo-2-[(phenylmethyl)sulfonylamino]pentyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(benzylsulfonylamino)-3-methylpentanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(benzylsulfonylamino)-3-methyl-pentanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H30N2O5S2 MolecularWeight: 430.5819

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCSC)C(=O)OC)NS(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

CCC(C)C(C(=O)NC(CCSC)C(=O)OC)NS(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C19H30N2O5S2/c1-5-14(2)17(18(22)20-16(11-12-27-4)19(23)26-3)21-28(24,25)13-15-9-7-6-8-10-15/h6-10,14,16-17,21H,5,11-13H2,1-4H3,(H,20,22)