(2R,3S)-3-methyl-2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]pentanoate

Systemtic Name: (2R,3S)-3-methyl-2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]pentanoate Openeye Name: (2R,3S)-3-methyl-2-[[2-(p-tolylsulfonylamino)acetyl]amino]pentanoate CAS Name: (2R,3S)-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]pentanoate IUPAC Name: (2R,3S)-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]pentanoate Traditional Name: (2R,3S)-3-methyl-2-[[2-(tosylamino)acetyl]amino]valerate Formula: C15H21N2O5S- MolecularWeight: 341.40264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)[O-])NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C15H22N2O5S/c1-4-11(3)14(15(19)20)17-13(18)9-16-23(21,22)12-7-5-10(2)6-8-12/h5-8,11,14,16H,4,9H2,1-3H3,(H,17,18)(H,19,20)/p-1/t11-,14+/m0/s1