tert-butyl N-[1-(2-cyanopyrrolidin-1-yl)-1-oxidanylidene-3-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]sulfanyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-(2-cyanopyrrolidin-1-yl)-1-oxidanylidene-3-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]sulfanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-(2-cyanopyrrolidin-1-yl)-2-oxo-1-[[2-oxo-2-(3-pyridylmethylamino)ethyl]sulfanylmethyl]ethyl]carbamate CAS Name: N-[1-(2-cyano-1-pyrrolidinyl)-1-oxo-3-[[2-oxo-2-(3-pyridinylmethylamino)ethyl]thio]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-cyanopyrrolidin-1-yl)-1-oxo-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]sulfanylpropan-2-yl]carbamate Traditional Name: N-[2-(2-cyanopyrrolidino)-2-keto-1-[[[2-keto-2-(3-pyridylmethylamino)ethyl]thio]methyl]ethyl]carbamic acid tert-butyl ester Formula: C21H29N5O4S MolecularWeight: 447.55106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC(=O)NCC1=CN=CC=C1)C(=O)N2CCCC2C#N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC(=O)NCC1=CN=CC=C1)C(=O)N2CCCC2C#N

InChI

InChI=1S/C21H29N5O4S/c1-21(2,3)30-20(29)25-17(19(28)26-9-5-7-16(26)10-22)13-31-14-18(27)24-12-15-6-4-8-23-11-15/h4,6,8,11,16-17H,5,7,9,12-14H2,1-3H3,(H,24,27)(H,25,29)