methyl (2S)-2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-[(4-chlorophenyl)sulfonylamino]-1-oxopropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C15H21ClN2O5S2 MolecularWeight: 408.92064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C15H21ClN2O5S2/c1-23-15(20)13(8-10-24-2)18-14(19)7-9-17-25(21,22)12-5-3-11(16)4-6-12/h3-6,13,17H,7-10H2,1-2H3,(H,18,19)/t13-/m0/s1