(2S,3S)-3-methyl-2-[[4-(methylsulfonylamino)phenyl]carbonylamino]pentanoic acid

Systemtic Name: (2S,3S)-3-methyl-2-[[4-(methylsulfonylamino)phenyl]carbonylamino]pentanoic acid Openeye Name: (2S,3S)-2-[[4-(methanesulfonamido)benzoyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[[4-(methanesulfonamido)phenyl]-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[4-(methanesulfonamido)benzoyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[4-(methanesulfonamido)benzoyl]amino]-3-methyl-valeric acid Formula: C14H20N2O5S MolecularWeight: 328.384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=CC=C(C=C1)NS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5S/c1-4-9(2)12(14(18)19)15-13(17)10-5-7-11(8-6-10)16-22(3,20)21/h5-9,12,16H,4H2,1-3H3,(H,15,17)(H,18,19)/t9-,12-/m0/s1