Acromelic acid A

CAS Registry Number®

86630-09-3
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CAS Name

Acromelic acid A

Molecular Formula

C13H14N2O7

Molecular Mass

310.26

Cite this Page

Acromelic acid A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=86630-09-3 (retrieved 2024-05-09) (CAS RN: 86630-09-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H14N2O7/c16-9(17)3-6-7(4-14-10(6)13(21)22)5-1-2-8(12(19)20)15-11(5)18/h1-2,6-7,10,14H,3-4H2,(H,15,18)(H,16,17)(H,19,20)(H,21,22)/t6-,7+,10-/m0/s1

InChIKey

InChIKey=CWXNEBSQRIECMV-PJKMHFRUSA-N

SMILES

C(C(O)=O)[C@H]1[C@H](CN[C@@H]1C(O)=O)C=2C(=O)NC(C(O)=O)=CC2

Canonical SMILES

O=C(O)C1=CC=C(C(=O)N1)C2CNC(C(=O)O)C2CC(=O)O

Other Names for this Substance

  • 2-Pyridinecarboxylic acid, 5-[(3S,4S,5S)-5-carboxy-4-(carboxymethyl)-3-pyrrolidinyl]-1,6-dihydro-6-oxo-
  • 2-Pyridinecarboxylic acid, 5-[5-carboxy-4-(carboxymethyl)-3-pyrrolidinyl]-1,6-dihydro-6-oxo-, [3S-(3α,4α,5β)]-
  • 5-[(3S,4S,5S)-5-Carboxy-4-(carboxymethyl)-3-pyrrolidinyl]-1,6-dihydro-6-oxo-2-pyridinecarboxylic acid
  • Acromelic acid A

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