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2-azaniumyl-3-[1H-indol-3-yl(oxidanyl)methyl]sulfanyl-propanoate

2-azaniumyl-3-[1H-indol-3-yl(oxidanyl)methyl]sulfanyl-propanoate

Systemtic Name:2-azaniumyl-3-[1H-indol-3-yl(oxidanyl)methyl]sulfanyl-propanoate
Openeye Name:2-azaniumyl-3-[hydroxy(1H-indol-3-yl)methyl]sulfanyl-propanoate
CAS Name:2-ammonio-3-[[hydroxy(1H-indol-3-yl)methyl]thio]propanoate
IUPAC Name:2-azaniumyl-3-[hydroxy(1H-indol-3-yl)methyl]sulfanylpropanoate
Traditional Name:2-ammonio-3-[[hydroxy(1H-indol-3-yl)methyl]thio]propionate
Formula: C12H14N2O3S
MolecularWeight: 266.31616
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(O)SCC(C(=O)[O-])[NH3+]


Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(O)SCC(C(=O)[O-])[NH3+]


InChI

InChI=1S/C12H14N2O3S/c13-9(11(15)16)6-18-12(17)8-5-14-10-4-2-1-3-7(8)10/h1-5,9,12,14,17H,6,13H2,(H,15,16)


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