(3aS,4S,6aR)-Hexahydro-2-oxo-N-3,6,9,12-tetraoxapentadec-14-yn-1-yl-1H-thieno[3,4-d]imidazole-4-pentanamide

CAS Registry Number®

1262681-31-1

CAS Name

(3aS,4S,6aR)-Hexahydro-2-oxo-N-3,6,9,12-tetraoxapentadec-14-yn-1-yl-1H-thieno[3,4-d]imidazole-4-pentanamide

Molecular Formula

C21H35N3O6S

Molecular Mass

457.58

Cite this Page

(3aS,4S,6aR)-Hexahydro-2-oxo-N-3,6,9,12-tetraoxapentadec-14-yn-1-yl-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=1262681-31-1 (retrieved 2024-12-05) (CAS RN: 1262681-31-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    96-98 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H35N3O6S/c1-2-8-27-10-12-29-14-15-30-13-11-28-9-7-22-19(25)6-4-3-5-18-20-17(16-31-18)23-21(26)24-20/h1,17-18,20H,3-16H2,(H,22,25)(H2,23,24,26)/t17-,18-,20-/m0/s1

InChIKey

InChIKey=SKMJWNZZFUDLKQ-BJLQDIEVSA-N

SMILES

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

Canonical SMILES

O=C1NC2CSC(CCCCC(=O)NCCOCCOCCOCCOCC#C)C2N1

Other Names for this Substance

  • 1H-Thieno[3,4-d]imidazole-4-pentanamide, hexahydro-2-oxo-N-3,6,9,12-tetraoxapentadec-14-yn-1-yl-, (3aS,4S,6aR)-
  • (3aS,4S,6aR)-Hexahydro-2-oxo-N-3,6,9,12-tetraoxapentadec-14-yn-1-yl-1H-thieno[3,4-d]imidazole-4-pentanamide
  • Biotin-PEG4-Alkyne

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