23-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-10,19-dioxo-3,6,12,15-tetraoxa-9,18-diazatricosanoic acid

CAS Registry Number®

1301706-65-9
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CAS Name

23-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-10,19-dioxo-3,6,12,15-tetraoxa-9,18-diazatricosanoic acid

Molecular Formula

C22H38N4O9S

Molecular Mass

534.62

Cite this Page

23-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-10,19-dioxo-3,6,12,15-tetraoxa-9,18-diazatricosanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1301706-65-9 (retrieved 2024-09-04) (CAS RN: 1301706-65-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H38N4O9S/c27-18(4-2-1-3-17-21-16(15-36-17)25-22(31)26-21)23-5-7-32-9-11-34-13-19(28)24-6-8-33-10-12-35-14-20(29)30/h16-17,21H,1-15H2,(H,23,27)(H,24,28)(H,29,30)(H2,25,26,31)/t16-,17-,21-/m0/s1

InChIKey

InChIKey=LBSMPUIBHSIUSI-FIKGOQFSSA-N

SMILES

C(CCCC(NCCOCCOCC(NCCOCCOCC(O)=O)=O)=O)[C@H]1[C@@]2([C@](CS1)(NC(=O)N2)[H])[H]

Canonical SMILES

O=C(O)COCCOCCNC(=O)COCCOCCNC(=O)CCCCC1SCC2NC(=O)NC12

Other Names for this Substance

  • 3,6,12,15-Tetraoxa-9,18-diazatricosanoic acid, 23-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-10,19-dioxo-
  • 23-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-10,19-dioxo-3,6,12,15-tetraoxa-9,18-diazatricosanoic acid