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2-azanyl-2-[3-(1H-imidazol-5-ylmethylsulfanyl)propylimino]ethanoic acid

2-azanyl-2-[3-(1H-imidazol-5-ylmethylsulfanyl)propylimino]ethanoic acid

Systemtic Name:2-azanyl-2-[3-(1H-imidazol-5-ylmethylsulfanyl)propylimino]ethanoic acid
Openeye Name:2-amino-2-[3-(1H-imidazol-5-ylmethylsulfanyl)propylimino]acetic acid
CAS Name:2-amino-2-[3-(1H-imidazol-5-ylmethylthio)propylimino]acetic acid
IUPAC Name:2-amino-2-[3-(1H-imidazol-5-ylmethylsulfanyl)propylimino]acetic acid
Traditional Name:2-amino-2-[3-(1H-imidazol-5-ylmethylthio)propylimino]acetic acid
Formula: C9H14N4O2S
MolecularWeight: 242.29806
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CSCCCN=C(C(=O)O)N


Isomeric SMILES

C1=C(NC=N1)CSCCCN=C(C(=O)O)N


InChI

InChI=1S/C9H14N4O2S/c10-8(9(14)15)12-2-1-3-16-5-7-4-11-6-13-7/h4,6H,1-3,5H2,(H2,10,12)(H,11,13)(H,14,15)


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