(4S)-5-ethanoylsulfanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentane-1-sulfonic acid

Systemtic Name: (4S)-5-ethanoylsulfanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentane-1-sulfonic acid Openeye Name: (4S)-5-acetylsulfanyl-4-(tert-butoxycarbonylamino)pentane-1-sulfonic acid CAS Name: (4S)-5-(acetylthio)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pentanesulfonic acid IUPAC Name: (4S)-5-acetylsulfanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentane-1-sulfonic acid Traditional Name: (4S)-5-(acetylthio)-4-(tert-butoxycarbonylamino)pentane-1-sulfonic acid Formula: C12H23NO6S2 MolecularWeight: 341.44412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCCS(=O)(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SC[C@H](CCCS(=O)(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C12H23NO6S2/c1-9(14)20-8-10(6-5-7-21(16,17)18)13-11(15)19-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,15)(H,16,17,18)/t10-/m0/s1