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2-[(5-azanyl-1,3-thiazol-2-yl)carbonyl-diethyl-azaniumyl]pentanedioate

2-[(5-azanyl-1,3-thiazol-2-yl)carbonyl-diethyl-azaniumyl]pentanedioate

Systemtic Name:2-[(5-azanyl-1,3-thiazol-2-yl)carbonyl-diethyl-azaniumyl]pentanedioate
Openeye Name:2-[(5-aminothiazole-2-carbonyl)-diethyl-ammonio]pentanedioate
CAS Name:2-[[(5-amino-2-thiazolyl)-oxomethyl]-diethylammonio]pentanedioate
IUPAC Name:2-[(5-amino-1,3-thiazole-2-carbonyl)-diethylazaniumyl]pentanedioate
Traditional Name:2-[(5-aminothiazole-2-carbonyl)-diethyl-ammonio]glutarate
Formula: C13H18N3O5S-
MolecularWeight: 328.36412
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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(C(CCC(=O)[O-])C(=O)[O-])C(=O)C1=NC=C(S1)N


Isomeric SMILES

CC[N+](CC)(C(CCC(=O)[O-])C(=O)[O-])C(=O)C1=NC=C(S1)N


InChI

InChI=1S/C13H19N3O5S/c1-3-16(4-2,8(13(20)21)5-6-10(17)18)12(19)11-15-7-9(14)22-11/h7-8H,3-6H2,1-2H3,(H3-,14,17,18,19,20,21)/p-1


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