(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonylsulfanyl-propanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonylsulfanyl-propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-methylsulfonylsulfanyl-propanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(methylsulfonylthio)propanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonylsulfanylpropanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(mesylthio)propionic acid Formula: C9H17NO6S2 MolecularWeight: 299.36438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CSS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C9H17NO6S2/c1-9(2,3)16-8(13)10-6(7(11)12)5-17-18(4,14)15/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m1/s1