(3aS,4S,6aR)-Hexahydro-N-[1-[4-[3-[(4-methylphenyl)sulfonyl]-2-[[(4-methylphenyl)sulfonyl]methyl]-1-oxopropyl]phenyl]-1-oxo-5,8,11-trioxa-2-azatridec-13-yl]-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide

CAS Registry Number®

2055048-58-1
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CAS Name

(3aS,4S,6aR)-Hexahydro-N-[1-[4-[3-[(4-methylphenyl)sulfonyl]-2-[[(4-methylphenyl)sulfonyl]methyl]-1-oxopropyl]phenyl]-1-oxo-5,8,11-trioxa-2-azatridec-13-yl]-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide

Molecular Formula

C43H56N4O11S3

Molecular Mass

901.12

Cite this Page

(3aS,4S,6aR)-Hexahydro-N-[1-[4-[3-[(4-methylphenyl)sulfonyl]-2-[[(4-methylphenyl)sulfonyl]methyl]-1-oxopropyl]phenyl]-1-oxo-5,8,11-trioxa-2-azatridec-13-yl]-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=2055048-58-1 (retrieved 2024-08-20) (CAS RN: 2055048-58-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H56N4O11S3/c1-30-7-15-35(16-8-30)60(52,53)28-34(29-61(54,55)36-17-9-31(2)10-18-36)41(49)32-11-13-33(14-12-32)42(50)45-20-22-57-24-26-58-25-23-56-21-19-44-39(48)6-4-3-5-38-40-37(27-59-38)46-43(51)47-40/h7-18,34,37-38,40H,3-6,19-29H2,1-2H3,(H,44,48)(H,45,50)(H2,46,47,51)/t37-,38-,40-/m0/s1

InChIKey

InChIKey=HITVMNMYYMWJMG-ZHTZQEILSA-N

SMILES

C(CCCC(NCCOCCOCCOCCNC(=O)C1=CC=C(C(C(CS(=O)(=O)C2=CC=C(C)C=C2)CS(=O)(=O)C3=CC=C(C)C=C3)=O)C=C1)=O)[C@H]4[C@@]5([C@](CS4)(NC(=O)N5)[H])[H]

Canonical SMILES

O=C1NC2CSC(CCCCC(=O)NCCOCCOCCOCCNC(=O)C3=CC=C(C=C3)C(=O)C(CS(=O)(=O)C4=CC=C(C=C4)C)CS(=O)(=O)C5=CC=C(C=C5)C)C2N1

Other Names for this Substance

  • 1H-Thieno[3,4-d]imidazole-4-pentanamide, hexahydro-N-[1-[4-[3-[(4-methylphenyl)sulfonyl]-2-[[(4-methylphenyl)sulfonyl]methyl]-1-oxopropyl]phenyl]-1-oxo-5,8,11-trioxa-2-azatridec-13-yl]-2-oxo-, (3aS,4S,6aR)-
  • (3aS,4S,6aR)-Hexahydro-N-[1-[4-[3-[(4-methylphenyl)sulfonyl]-2-[[(4-methylphenyl)sulfonyl]methyl]-1-oxopropyl]phenyl]-1-oxo-5,8,11-trioxa-2-azatridec-13-yl]-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide