GHS
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Allodesmosine
CAS Number: 129717-82-4
IUPAC name: 2,10-diamino-5-[1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)pyridin-1-ium-4-yl]undecanedioic acid
Molecular formula: C30H51N6O10+
Molecular weight: 655.8
InChI: InChI=1S/C30H50N6O10/c31-20(26(37)38)6-2-1-5-17(8-11-22(33)28(41)42)25-18(9-12-23(34)29(43)44)15-36(14-4-3-7-21(32)27(39)40)16-19(25)10-13-24(35)30(45)46/h15-17,20-24H,1-14,31-35H2,(H4-,37,38,39,40,41,42,43,44,45,46)/p+1
InChIKey: IQEPQBCFQPLNCF-UHFFFAOYSA-O
SMILES: C1=C(C(=C(C=[N+]1CCCCC(C(=O)O)N)CCC(C(=O)O)N)C(CCCCC(C(=O)O)N)CCC(C(=O)O)N)CCC(C(=O)O)N
EINECS: -
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