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Substance Name: Pentasine
RN: 108133-63-7
InChIKey: PQAACQBDHKVCSF-ZJGVIXKBSA-O

Note

  • Pentameric amino acid from elastin.

Molecular Weight

  • 653.7491
 
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Names and Synonyms

Name of Substance

  • Pentasine

Systematic Name

  • 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*)))-

Registry Numbers

CAS Registry Number

  • 108133-63-7

System Generated Number

  • 0108133637

Structure Descriptors

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/b18-5+/t20-,21-,22-,23-,24-/m0/s1

InChIKey

PQAACQBDHKVCSF-ZJGVIXKBSA-O

Smiles

c1c(c[n+](c(c1CC[C@@H](C(=O)O)N)/C(=C/CCC[C@@H](C(=O)O)N)/CC[C@@H](C(=O)O)N)CCCC[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N