Isodesmosine

CAS Registry Number®

991-01-5

CAS Name

Isodesmosine

Molecular Formula

C24H40N5O8

Cite this Page

Isodesmosine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=991-01-5 (retrieved 2024-11-29) (CAS RN: 991-01-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H39N5O8/c25-16(21(30)31)4-1-2-11-29-13-14(7-9-18(27)23(34)35)12-15(8-10-19(28)24(36)37)20(29)6-3-5-17(26)22(32)33/h12-13,16-19H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1/t16-,17-,18-,19-/m0/s1

InChIKey

InChIKey=RGXCTRIQQODGIZ-VJANTYMQSA-O

SMILES

C(CC[C@@H](C(O)=O)N)C1=C(CC[C@@H](C(O)=O)N)C=C(CC[C@@H](C(O)=O)N)C=[N+]1CCCC[C@@H](C(O)=O)N

Canonical SMILES

O=C(O)C(N)CCC=1C=C(C(=[N+](C1)CCCCC(N)C(=O)O)CCCC(N)C(=O)O)CCC(N)C(=O)O

Other Names for this Substance

  • Pyridinium, 2-[(4S)-4-amino-4-carboxybutyl]-1-[(5S)-5-amino-5-carboxypentyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]-
  • Pyridinium, 2-(4-amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)-
  • 2-[(4S)-4-Amino-4-carboxybutyl]-1-[(5S)-5-amino-5-carboxypentyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]pyridinium
  • Isodesmosine

CAS INSIGHTSTM
Hourglass and a clock