tert-butyl N-(5-azanyl-4-oxidanylidene-7-pyridin-2-yl-1-sulfanyl-heptan-3-yl)carbamate

Systemtic Name: tert-butyl N-(5-azanyl-4-oxidanylidene-7-pyridin-2-yl-1-sulfanyl-heptan-3-yl)carbamate Openeye Name: tert-butyl N-[3-amino-2-oxo-5-(2-pyridyl)-1-(2-sulfanylethyl)pentyl]carbamate CAS Name: N-[5-amino-1-mercapto-4-oxo-7-(2-pyridinyl)heptan-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(5-amino-4-oxo-7-pyridin-2-yl-1-sulfanylheptan-3-yl)carbamate Traditional Name: N-[3-amino-2-keto-1-(2-mercaptoethyl)-5-(2-pyridyl)pentyl]carbamic acid tert-butyl ester Formula: C17H27N3O3S MolecularWeight: 353.47958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCS)C(=O)C(CCC1=CC=CC=N1)N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCS)C(=O)C(CCC1=CC=CC=N1)N

InChI

InChI=1S/C17H27N3O3S/c1-17(2,3)23-16(22)20-14(9-11-24)15(21)13(18)8-7-12-6-4-5-10-19-12/h4-6,10,13-14,24H,7-9,11,18H2,1-3H3,(H,20,22)