2,5-Dioxo-1-pyrrolidinyl 18-ethyl-24-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-17,20-dioxo-4,7,10,13-tetraoxa-16,19-diazatetracosanoate

CAS Registry Number®

1334172-61-0
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CAS Name

2,5-Dioxo-1-pyrrolidinyl 18-ethyl-24-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-17,20-dioxo-4,7,10,13-tetraoxa-16,19-diazatetracosanoate

Molecular Formula

C29H47N5O11S

Molecular Mass

673.78

Cite this Page

2,5-Dioxo-1-pyrrolidinyl 18-ethyl-24-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-17,20-dioxo-4,7,10,13-tetraoxa-16,19-diazatetracosanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1334172-61-0 (retrieved 2024-08-15) (CAS RN: 1334172-61-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H47N5O11S/c1-2-20(31-23(35)6-4-3-5-22-27-21(19-46-22)32-29(40)33-27)28(39)30-10-12-42-14-16-44-18-17-43-15-13-41-11-9-26(38)45-34-24(36)7-8-25(34)37/h20-22,27H,2-19H2,1H3,(H,30,39)(H,31,35)(H2,32,33,40)/t20?,21-,22-,27-/m0/s1

InChIKey

InChIKey=PVJHJVSTNKPWMS-PRYZCRMLSA-N

SMILES

C(CCCC(NC(C(NCCOCCOCCOCCOCCC(ON1C(=O)CCC1=O)=O)=O)CC)=O)[C@H]2[C@@]3([C@](CS2)(NC(=O)N3)[H])[H]

Canonical SMILES

O=C1NC2CSC(CCCCC(=O)NC(C(=O)NCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)CC)C2N1

Other Names for this Substance

  • 4,7,10,13-Tetraoxa-16,19-diazatetracosanoic acid, 18-ethyl-24-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-17,20-dioxo-, 2,5-dioxo-1-pyrrolidinyl ester
  • 2,5-Dioxo-1-pyrrolidinyl 18-ethyl-24-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-17,20-dioxo-4,7,10,13-tetraoxa-16,19-diazatetracosanoate