Acromelic acid B

CAS Registry Number®

86630-10-6

CAS Name

Acromelic acid B

Molecular Formula

C13H14N2O7

Molecular Mass

310.26

Cite this Page

Acromelic acid B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86630-10-6 (retrieved 2024-11-28) (CAS RN: 86630-10-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=YQDHGMPCSWNBFG-PJKMHFRUSA-N

SMILES

C(C(O)=O)[C@H]1[C@H](CN[C@@H]1C(O)=O)C2=C(C(O)=O)NC(=O)C=C2

Canonical SMILES

O=C(O)C=1NC(=O)C=CC1C2CNC(C(=O)O)C2CC(=O)O

Other Names for this Substance

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

CAS INSIGHTSTM
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