methyl (2S)-2-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C13H17FN2O6S MolecularWeight: 348.347283

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC(CO)C(=O)OC)S(=O)(=O)C1=CC=C(C=C1)F

Isomeric SMILES

CN(CC(=O)N[C@@H](CO)C(=O)OC)S(=O)(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C13H17FN2O6S/c1-16(7-12(18)15-11(8-17)13(19)22-2)23(20,21)10-5-3-9(14)4-6-10/h3-6,11,17H,7-8H2,1-2H3,(H,15,18)/t11-/m0/s1