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

CAS Registry Number®

353754-95-7
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CAS Name

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

Molecular Formula

C19H34N4O5S3

Molecular Mass

494.69

Cite this Page

S-[2-[[6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] methanesulfonothioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=353754-95-7 (retrieved 2024-04-25) (CAS RN: 353754-95-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H34N4O5S3/c1-31(27,28)30-12-11-21-17(25)8-3-2-6-10-20-16(24)9-5-4-7-15-18-14(13-29-15)22-19(26)23-18/h14-15,18H,2-13H2,1H3,(H,20,24)(H,21,25)(H2,22,23,26)/t14-,15-,18-/m0/s1

InChIKey

InChIKey=PXMZUZLKVZKKHK-MPGHIAIKSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Methanesulfonothioic acid, S-[2-[[6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] ester
  • S-[2-[[6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] methanesulfonothioate
  • MTSEA biotin-X
  • MTSEA BIOTINCAP

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