1-[3-(pyridin-2-yldisulfanyl)propanamido]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid

CAS: 1334177-96-6

Formula: C27H46N2O11S2

SMILES: OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCSSC1=NC=CC=C1

IUPAC: 1-[3-(pyridin-2-yldisulfanyl)propanamido]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid

InChI: InChI=1S/C27H46N2O11S2/c30-25(5-24-41-42-26-3-1-2-6-29-26)28-7-9-34-11-13-36-15-17-38-19-21-40-23-22-39-20-18-37-16-14-35-12-10-33-8-4-27(31)32/h1-3,6H,4-5,7-24H2,(H,28,30)(H,31,32)

Composition: C (50.77%), H (7.26%), N (4.39%), O (27.55%), S (10.04%)

Molar Mass: 638.79

Atom Count: 88

Heavy Atom Count: 42