N-(2-azanylethyl)-N'-(2-hydroxyethyl)-3-methyl-2-[3-(pyridin-2-yldisulfanyl)propanoylamino]butanediamide

Systemtic Name: N-(2-azanylethyl)-N'-(2-hydroxyethyl)-3-methyl-2-[3-(pyridin-2-yldisulfanyl)propanoylamino]butanediamide Openeye Name: N-(2-aminoethyl)-N'-(2-hydroxyethyl)-3-methyl-2-[3-(2-pyridyldisulfanyl)propanoylamino]butanediamide CAS Name: N-(2-aminoethyl)-N'-(2-hydroxyethyl)-3-methyl-2-[[1-oxo-3-(2-pyridinyldisulfanyl)propyl]amino]butanediamide IUPAC Name: N-(2-aminoethyl)-N'-(2-hydroxyethyl)-3-methyl-2-[3-(pyridin-2-yldisulfanyl)propanoylamino]butanediamide Traditional Name: N-(2-aminoethyl)-N'-(2-hydroxyethyl)-3-methyl-2-[3-(2-pyridyldisulfanyl)propanoylamino]succinamide Formula: C17H27N5O4S2 MolecularWeight: 429.55738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NCCN)NC(=O)CCSSC1=CC=CC=N1)C(=O)NCCO

Isomeric SMILES

CC(C(C(=O)NCCN)NC(=O)CCSSC1=CC=CC=N1)C(=O)NCCO

InChI

InChI=1S/C17H27N5O4S2/c1-12(16(25)21-9-10-23)15(17(26)20-8-6-18)22-13(24)5-11-27-28-14-4-2-3-7-19-14/h2-4,7,12,15,23H,5-6,8-11,18H2,1H3,(H,20,26)(H,21,25)(H,22,24)