(6R,7S)-3-[[(Aminocarbonyl)oxy]methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS Registry Number®

34279-51-1

CAS Name

(6R,7S)-3-[[(Aminocarbonyl)oxy]methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Molecular Formula

C16H22N4O9S

Molecular Mass

446.43

Cite this Page

(6R,7S)-3-[[(Aminocarbonyl)oxy]methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-7-methoxy-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=34279-51-1 (retrieved 2024-12-04) (CAS RN: 34279-51-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H22N4O9S/c1-28-16(19-9(21)4-2-3-8(17)11(22)23)13(26)20-10(12(24)25)7(5-29-15(18)27)6-30-14(16)20/h8,14H,2-6,17H2,1H3,(H2,18,27)(H,19,21)(H,22,23)(H,24,25)/t8-,14-,16+/m1/s1

InChIKey

InChIKey=LXWBXEWUSAABOA-VXSYNFHWSA-N

SMILES

N(C(CCC[C@H](C(O)=O)N)=O)[C@@]1(OC)[C@@]2(N(C1=O)C(C(O)=O)=C(COC(N)=O)CS2)[H]

Canonical SMILES

O=C(O)C1=C(COC(=O)N)CSC2N1C(=O)C2(OC)NC(=O)CCCC(N)C(=O)O

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-7-methoxy-8-oxo-, (6R,7S)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-7-methoxy-8-oxo-, [6R-[6α,7α,7(R*)]]-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(5-amino-5-carboxyvaleramido)-3-(hydroxymethyl)-7-methoxy-8-oxo-, carbamate (ester), D-
  • (6R,7S)-3-[[(Aminocarbonyl)oxy]methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • Antibiotic 842A

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Deleted or Replaced CAS Registry Numbers

37226-22-5, 40958-02-9

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