(6R,7R)-7-[[(2Z)-2-(2-Amino-5-chloro-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-3-[[[(2,6-diamino-4-pyrimidinyl)thio]methyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS Registry Number®

250597-40-1

CAS Name

(6R,7R)-7-[[(2Z)-2-(2-Amino-5-chloro-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-3-[[[(2,6-diamino-4-pyrimidinyl)thio]methyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Molecular Formula

C17H16ClN9O5S4

Molecular Mass

590.08

Cite this Page

(6R,7R)-7-[[(2Z)-2-(2-Amino-5-chloro-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-3-[[[(2,6-diamino-4-pyrimidinyl)thio]methyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=250597-40-1 (retrieved 2024-11-22) (CAS RN: 250597-40-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H16ClN9O5S4/c18-11-7(25-17(21)36-11)8(26-32)12(28)24-9-13(29)27-10(15(30)31)4(2-33-14(9)27)34-3-35-6-1-5(19)22-16(20)23-6/h1,9,14,32H,2-3H2,(H2,21,25)(H,24,28)(H,30,31)(H4,19,20,22,23)/b26-8-/t9-,14-/m1/s1

InChIKey

InChIKey=OBZREKINKKRXQH-SJCJUFQRSA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@H](NC(/C(=N\O)/C3=C(Cl)SC(N)=N3)=O)C2=O)(SCC1SCSC=4C=C(N)N=C(N)N4)[H]

Canonical SMILES

O=C(O)C1=C(SCSC2=NC(=NC(N)=C2)N)CSC3N1C(=O)C3NC(=O)C(=NO)C=4N=C(SC4Cl)N

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-5-chloro-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-3-[[[(2,6-diamino-4-pyrimidinyl)thio]methyl]thio]-8-oxo-, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-5-chloro-4-thiazolyl)(hydroxyimino)acetyl]amino]-3-[[[(2,6-diamino-4-pyrimidinyl)thio]methyl]thio]-8-oxo-, (6R,7R)-
  • (6R,7R)-7-[[(2Z)-2-(2-Amino-5-chloro-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-3-[[[(2,6-diamino-4-pyrimidinyl)thio]methyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • LB 10827

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