6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]hexanoic acid

CAS Registry Number®

72040-64-3

CAS Name

6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]hexanoic acid

Molecular Formula

C16H27N3O4S

Molecular Mass

357.47

Cite this Page

6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]hexanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72040-64-3 (retrieved 2024-11-22) (CAS RN: 72040-64-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    156 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H27N3O4S/c20-13(17-9-5-1-2-8-14(21)22)7-4-3-6-12-15-11(10-24-12)18-16(23)19-15/h11-12,15H,1-10H2,(H,17,20)(H,21,22)(H2,18,19,23)/t11-,12-,15-/m0/s1

InChIKey

InChIKey=CMUGHZFPFWNUQT-HUBLWGQQSA-N

SMILES

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

Canonical SMILES

O=C1NC2CSC(CCCCC(=O)NCCCCCC(=O)O)C2N1

Other Names for this Substance

  • Hexanoic acid, 6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-
  • Hexanoic acid, 6-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]-, [3aS-(3aα,4β,6aα)]-
  • Hexanoic acid, 6-[5-(tetrahydro-2-oxothieno[3,4-d]imidazolin-4-yl)valeramido]-
  • 1H-Thieno[3,4-d]imidazole, hexanoic acid deriv.
  • 6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]hexanoic acid

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Deleted or Replaced CAS Registry Numbers

121112-82-1, 122984-65-0, 1798818-48-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration