(2S)-2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[4-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxobutyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]-4-methylpentanoate Traditional Name: (2S)-2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoylamino]-4-methyl-valerate Formula: C17H24FN2O5S- MolecularWeight: 387.446263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)CCCN(C)S(=O)(=O)C1=CC=C(C=C1)F

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)CCCN(C)S(=O)(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C17H25FN2O5S/c1-12(2)11-15(17(22)23)19-16(21)5-4-10-20(3)26(24,25)14-8-6-13(18)7-9-14/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,19,21)(H,22,23)/p-1/t15-/m0/s1