(2S)-2-[(3-tert-butylsulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)carbamoylamino]pentanedioic acid

Systemtic Name: (2S)-2-[(3-tert-butylsulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)carbamoylamino]pentanedioic acid Openeye Name: (2S)-2-[[1-(tert-butylsulfanylmethyl)-2-hydroxy-2-oxo-ethyl]carbamoylamino]pentanedioic acid CAS Name: (2S)-2-[[[[3-(tert-butylthio)-1-hydroxy-1-oxopropan-2-yl]amino]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[(3-tert-butylsulfanyl-1-hydroxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid Traditional Name: (2S)-2-[[1-[(tert-butylthio)methyl]-2-hydroxy-2-keto-ethyl]carbamoylamino]glutaric acid Formula: C13H22N2O7S MolecularWeight: 350.38798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)SCC(C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H22N2O7S/c1-13(2,3)23-6-8(11(20)21)15-12(22)14-7(10(18)19)4-5-9(16)17/h7-8H,4-6H2,1-3H3,(H,16,17)(H,18,19)(H,20,21)(H2,14,15,22)/t7-,8?/m0/s1