3-[[25-Oxo-27-(2-pyridinyldithio)-3,6,9,12,15,18,21-heptaoxa-24-azaheptacos-1-yl]oxy]propanoic acid

CAS Registry Number®

1334177-96-6
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CAS Name

3-[[25-Oxo-27-(2-pyridinyldithio)-3,6,9,12,15,18,21-heptaoxa-24-azaheptacos-1-yl]oxy]propanoic acid

Molecular Formula

C27H46N2O11S2

Molecular Mass

638.79

Cite this Page

3-[[25-Oxo-27-(2-pyridinyldithio)-3,6,9,12,15,18,21-heptaoxa-24-azaheptacos-1-yl]oxy]propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1334177-96-6 (retrieved 2024-07-08) (CAS RN: 1334177-96-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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)

InChIKey

InChIKey=DKWMKNTUPXBDLZ-UHFFFAOYSA-N

SMILES

S(SCCC(NCCOCCOCCOCCOCCOCCOCCOCCOCCC(O)=O)=O)C1=CC=CC=N1

Canonical SMILES

O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCSSC1=NC=CC=C1

Other Names for this Substance

  • Propanoic acid, 3-[[25-oxo-27-(2-pyridinyldithio)-3,6,9,12,15,18,21-heptaoxa-24-azaheptacos-1-yl]oxy]-
  • 3-[[25-Oxo-27-(2-pyridinyldithio)-3,6,9,12,15,18,21-heptaoxa-24-azaheptacos-1-yl]oxy]propanoic acid