Pyridinium, 2-[(6S)-6-amino-1-[(3S)-3-amino-3-carboxypropyl]-6-carboxy-1-hexenyl]-1-[(5S)-5-amino-5-carboxypentyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]-

CAS Registry Number®

108133-63-7

CAS Name

Pyridinium, 2-[(6S)-6-amino-1-[(3S)-3-amino-3-carboxypropyl]-6-carboxy-1-hexenyl]-1-[(5S)-5-amino-5-carboxypentyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]-

Molecular Formula

C30H49N6O10

Cite this Page

Pyridinium, 2-[(6S)-6-amino-1-[(3S)-3-amino-3-carboxypropyl]-6-carboxy-1-hexenyl]-1-[(5S)-5-amino-5-carboxypentyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=108133-63-7 (retrieved 2024-11-25) (CAS RN: 108133-63-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H48N6O10/c31-20(26(37)38)6-2-1-5-18(9-12-23(34)29(43)44)25-19(10-13-24(35)30(45)46)15-17(8-11-22(33)28(41)42)16-36(25)14-4-3-7-21(32)27(39)40/h5,15-16,20-24H,1-4,6-14,31-35H2,(H4-,37,38,39,40,41,42,43,44,45,46)/p+1

InChIKey

InChIKey=PQAACQBDHKVCSF-UHFFFAOYSA-O

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Pyridinium, 2-[(6S)-6-amino-1-[(3S)-3-amino-3-carboxypropyl]-6-carboxy-1-hexenyl]-1-[(5S)-5-amino-5-carboxypentyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]-
  • Pyridinium, 2-[6-amino-1-(3-amino-3-carboxypropyl)-6-carboxy-1-hexenyl]-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)-, [1(S)-[1(R*),2[1(R*),6R*],3(R*),5(R*)]]-
  • Pentasine

CAS INSIGHTSTM
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