1-[[(Cyclohexyloxy)carbonyl]oxy]ethyl (6R,7R)-7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS Registry Number®

95761-91-4

CAS Name

1-[[(Cyclohexyloxy)carbonyl]oxy]ethyl (6R,7R)-7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Molecular Formula

C27H37N9O7S3

Molecular Mass

695.83

Cite this Page

1-[[(Cyclohexyloxy)carbonyl]oxy]ethyl (6R,7R)-7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=95761-91-4 (retrieved 2024-11-22) (CAS RN: 95761-91-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H37N9O7S3/c1-15(42-27(40)43-18-7-5-4-6-8-18)41-24(39)21-16(13-46-26-31-32-33-35(26)10-9-34(2)3)12-44-23-20(22(38)36(21)23)30-19(37)11-17-14-45-25(28)29-17/h14-15,18,20,23H,4-13H2,1-3H3,(H2,28,29)(H,30,37)/t15?,20-,23-/m1/s1

InChIKey

InChIKey=VVFDMWZLBPUKTD-ZKRNHDOASA-N

SMILES

C(OC(OC(OC1CCCCC1)=O)C)(=O)C=2N3[C@@]([C@H](NC(CC=4N=C(N)SC4)=O)C3=O)(SCC2CSC=5N(CCN(C)C)N=NN5)[H]

Canonical SMILES

O=C(OC(OC(=O)C1=C(CSC2=NN=NN2CCN(C)C)CSC3N1C(=O)C3NC(=O)CC=4N=C(SC4)N)C)OC5CCCCC5

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-, 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-, 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester, [6R-(6α,7β)]-
  • 1-[[(Cyclohexyloxy)carbonyl]oxy]ethyl (6R,7R)-7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • Cefotiam hexetil

CAS INSIGHTSTM
Targeted protein degrader structure, illustration