6-azanyl-2-[2-(oxan-2-ylsulfanyl)ethanoylamino]-N-(pyridin-2-ylmethyl)hexanamide

Systemtic Name: 6-azanyl-2-[2-(oxan-2-ylsulfanyl)ethanoylamino]-N-(pyridin-2-ylmethyl)hexanamide Openeye Name: 6-amino-N-(2-pyridylmethyl)-2-[(2-tetrahydropyran-2-ylsulfanylacetyl)amino]hexanamide CAS Name: 6-amino-2-[[2-(2-oxanylthio)-1-oxoethyl]amino]-N-(2-pyridinylmethyl)hexanamide IUPAC Name: 6-amino-2-[[2-(oxan-2-ylsulfanyl)acetyl]amino]-N-(pyridin-2-ylmethyl)hexanamide Traditional Name: 6-amino-N-(2-pyridylmethyl)-2-[[2-(tetrahydropyran-2-ylthio)acetyl]amino]hexanamide Formula: C19H30N4O3S MolecularWeight: 394.5315

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)SCC(=O)NC(CCCCN)C(=O)NCC2=CC=CC=N2

Isomeric SMILES

C1CCOC(C1)SCC(=O)NC(CCCCN)C(=O)NCC2=CC=CC=N2

InChI

InChI=1S/C19H30N4O3S/c20-10-4-1-8-16(19(25)22-13-15-7-2-5-11-21-15)23-17(24)14-27-18-9-3-6-12-26-18/h2,5,7,11,16,18H,1,3-4,6,8-10,12-14,20H2,(H,22,25)(H,23,24)