(3aS,4S,6aR)-N-[1-(4-Benzoylphenyl)-1-oxo-6,9,12-trioxa-2-azapentadec-15-yl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide

CAS Registry Number®

756525-96-9
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CAS Name

(3aS,4S,6aR)-N-[1-(4-Benzoylphenyl)-1-oxo-6,9,12-trioxa-2-azapentadec-15-yl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide

Molecular Formula

C34H46N4O7S

Molecular Mass

654.82

Cite this Page

(3aS,4S,6aR)-N-[1-(4-Benzoylphenyl)-1-oxo-6,9,12-trioxa-2-azapentadec-15-yl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=756525-96-9 (retrieved 2024-08-18) (CAS RN: 756525-96-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H46N4O7S/c39-30(11-5-4-10-29-31-28(24-46-29)37-34(42)38-31)35-16-6-18-43-20-22-45-23-21-44-19-7-17-36-33(41)27-14-12-26(13-15-27)32(40)25-8-2-1-3-9-25/h1-3,8-9,12-15,28-29,31H,4-7,10-11,16-24H2,(H,35,39)(H,36,41)(H2,37,38,42)/t28-,29-,31-/m0/s1

InChIKey

InChIKey=HCJSAUXAUBGYDL-QMOZSOIISA-N

SMILES

C(CCCC(NCCCOCCOCCOCCCNC(=O)C1=CC=C(C(=O)C2=CC=CC=C2)C=C1)=O)[C@H]3[C@@]4([C@](CS3)(NC(=O)N4)[H])[H]

Canonical SMILES

O=C1NC2CSC(CCCCC(=O)NCCCOCCOCCOCCCNC(=O)C3=CC=C(C=C3)C(=O)C=4C=CC=CC4)C2N1

Other Names for this Substance

  • 1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[1-(4-benzoylphenyl)-1-oxo-6,9,12-trioxa-2-azapentadec-15-yl]hexahydro-2-oxo-, (3aS,4S,6aR)-
  • 1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[15-(4-benzoylphenyl)-15-oxo-4,7,10-trioxa-14-azapentadec-1-yl]hexahydro-2-oxo-, (3aS,4S,6aR)-
  • (3aS,4S,6aR)-N-[1-(4-Benzoylphenyl)-1-oxo-6,9,12-trioxa-2-azapentadec-15-yl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide