2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-methylsulfinylbutylcarbamothioylsulfanyl)propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-methylsulfinylbutylcarbamothioylsulfanyl)propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(4-methylsulfinylbutylcarbamothioylsulfanyl)propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[[(4-methylsulfinylbutylamino)-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-methylsulfinylbutylcarbamothioylsulfanyl)propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-methylsulfinylbutylthiocarbamoylthio)propionic acid Formula: C14H26N2O5S3 MolecularWeight: 398.56164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC(=S)NCCCCS(=O)C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC(=S)NCCCCS(=O)C)C(=O)O

InChI

InChI=1S/C14H26N2O5S3/c1-14(2,3)21-12(19)16-10(11(17)18)9-23-13(22)15-7-5-6-8-24(4)20/h10H,5-9H2,1-4H3,(H,15,22)(H,16,19)(H,17,18)