[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C17H25N3O6S/c1-5-12(2)18-16(22)11-26-17(23)10-20(4)27(24,25)15-8-6-14(7-9-15)19-13(3)21/h6-9,12H,5,10-11H2,1-4H3,(H,18,22)(H,19,21)/t12-/m0/s1