tert-butyl N-[(3S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-1-piperidin-1-yl-1-sulfanylidene-heptan-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-1-piperidin-1-yl-1-sulfanylidene-heptan-3-yl]carbamate Openeye Name: tert-butyl N-[(5S)-5-(tert-butoxycarbonylamino)-6-oxo-7-(1-piperidyl)-7-thioxo-heptyl]carbamate CAS Name: N-[(3S)-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-1-(1-piperidinyl)-1-sulfanylideneheptan-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-piperidin-1-yl-1-sulfanylideneheptan-3-yl]carbamate Traditional Name: N-[(5S)-5-(tert-butoxycarbonylamino)-6-keto-7-piperidino-7-thioxo-heptyl]carbamic acid tert-butyl ester Formula: C22H39N3O5S MolecularWeight: 457.62716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)C(=S)N1CCCCC1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)C(=S)N1CCCCC1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H39N3O5S/c1-21(2,3)29-19(27)23-13-9-8-12-16(24-20(28)30-22(4,5)6)17(26)18(31)25-14-10-7-11-15-25/h16H,7-15H2,1-6H3,(H,23,27)(H,24,28)/t16-/m0/s1