tert-butyl N-[2-azanyl-3-[(2-sulfanylidene-1H-pyridin-3-yl)sulfanyl]propanoyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

Systemtic Name: tert-butyl N-[2-azanyl-3-[(2-sulfanylidene-1H-pyridin-3-yl)sulfanyl]propanoyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate Openeye Name: tert-butyl N-[2-amino-3-[(2-thioxo-1H-pyridin-3-yl)sulfanyl]propanoyl]-N-(tert-butoxycarbonylamino)carbamate CAS Name: N-[2-amino-1-oxo-3-[(2-sulfanylidene-1H-pyridin-3-yl)thio]propyl]-N-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-amino-3-[(2-sulfanylidene-1H-pyridin-3-yl)sulfanyl]propanoyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate Traditional Name: N-[2-amino-3-[(2-thioxo-1H-pyridin-3-yl)thio]propanoyl]-N-(tert-butoxycarbonylamino)carbamic acid tert-butyl ester Formula: C18H28N4O5S2 MolecularWeight: 444.56872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(C(=O)C(CSC1=CC=CNC1=S)N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NN(C(=O)C(CSC1=CC=CNC1=S)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H28N4O5S2/c1-17(2,3)26-15(24)21-22(16(25)27-18(4,5)6)14(23)11(19)10-29-12-8-7-9-20-13(12)28/h7-9,11H,10,19H2,1-6H3,(H,20,28)(H,21,24)