(2S,3R)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-5-methyl-2-(phenylsulfonylamino)hexanoic acid

Systemtic Name: (2S,3R)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-5-methyl-2-(phenylsulfonylamino)hexanoic acid Openeye Name: (2S,3R)-2-(benzenesulfonamido)-3-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-5-methyl-hexanoic acid CAS Name: (2S,3R)-2-(benzenesulfonamido)-3-[[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-oxomethyl]-5-methylhexanoic acid IUPAC Name: (2S,3R)-2-(benzenesulfonamido)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-5-methylhexanoic acid Traditional Name: (2S,3R)-2-(benzenesulfonamido)-3-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-5-methyl-hexanoic acid Formula: C21H33N3O6S MolecularWeight: 455.56822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O6S/c1-13(2)12-15(18(25)23-17(19(26)22-6)21(3,4)5)16(20(27)28)24-31(29,30)14-10-8-7-9-11-14/h7-11,13,15-17,24H,12H2,1-6H3,(H,22,26)(H,23,25)(H,27,28)/t15-,16+,17-/m1/s1