2,5-Dioxo-3-sulfo-1-pyrrolidinyl 6-[[6-[[5-[(3aR,4R,6aS)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]hexanoate

CAS Registry Number®

2098500-32-2
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CAS Name

2,5-Dioxo-3-sulfo-1-pyrrolidinyl 6-[[6-[[5-[(3aR,4R,6aS)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]hexanoate

Molecular Formula

C26H41N5O10S2

Molecular Mass

647.76

Cite this Page

2,5-Dioxo-3-sulfo-1-pyrrolidinyl 6-[[6-[[5-[(3aR,4R,6aS)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]hexanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2098500-32-2 (retrieved 2024-09-04) (CAS RN: 2098500-32-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H41N5O10S2/c32-20(27-14-8-2-4-12-23(35)41-31-22(34)15-19(25(31)36)43(38,39)40)10-3-1-7-13-28-21(33)11-6-5-9-18-24-17(16-42-18)29-26(37)30-24/h17-19,24H,1-16H2,(H,27,32)(H,28,33)(H2,29,30,37)(H,38,39,40)/t17-,18-,19?,24-/m1/s1

InChIKey

InChIKey=OOUXXUGIDNPTNR-XWNWKKPDSA-N

SMILES

C(CCCC(NCCCCCC(NCCCCCC(ON1C(=O)C(S(=O)(=O)O)CC1=O)=O)=O)=O)[C@@H]2[C@]3([C@@](CS2)(NC(=O)N3)[H])[H]

Canonical SMILES

O=C1NC2CSC(CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)O)C2N1

Other Names for this Substance

  • Hexanoic acid, 6-[[6-[[5-[(3aR,4R,6aS)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester
  • 2,5-Dioxo-3-sulfo-1-pyrrolidinyl 6-[[6-[[5-[(3aR,4R,6aS)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]hexanoate