2-[[2-azaniumyl-3-[(Z)-C-(1H-indol-3-ylmethyl)-N-oxidanyl-carbonimidoyl]sulfanyl-propanoyl]amino]ethanoate

Systemtic Name: 2-[[2-azaniumyl-3-[(Z)-C-(1H-indol-3-ylmethyl)-N-oxidanyl-carbonimidoyl]sulfanyl-propanoyl]amino]ethanoate Openeye Name: 2-[[2-azaniumyl-3-[(Z)-N-hydroxy-C-(1H-indol-3-ylmethyl)carbonimidoyl]sulfanyl-propanoyl]amino]acetate CAS Name: 2-[[2-ammonio-3-[[(1Z)-1-hydroxyimino-2-(1H-indol-3-yl)ethyl]thio]-1-oxopropyl]amino]acetate IUPAC Name: 2-[[2-azaniumyl-3-[(Z)-N-hydroxy-C-(1H-indol-3-ylmethyl)carbonimidoyl]sulfanylpropanoyl]amino]acetate Traditional Name: 2-[[2-ammonio-3-[[2-(1H-indol-3-yl)acetohydroximoyl]thio]propanoyl]amino]acetate Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(=NO)SCC(C(=O)NCC(=O)[O-])[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O4S/c16-11(15(22)18-7-14(20)21)8-24-13(19-23)5-9-6-17-12-4-2-1-3-10(9)12/h1-4,6,11,17,23H,5,7-8,16H2,(H,18,22)(H,20,21)/b19-13-