(3S)-3-azaniumyl-4-[[(2S)-3-(1H-indol-3-yl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (3S)-3-azaniumyl-4-[[(2S)-3-(1H-indol-3-yl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: (3S)-3-azaniumyl-4-[[(1S)-1-(1H-indol-3-ylmethyl)-2-oxido-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: (3S)-3-ammonio-4-[[(2S)-3-(1H-indol-3-yl)-1-oxido-1-oxopropan-2-yl]amino]-4-oxobutanoate IUPAC Name: (3S)-3-azaniumyl-4-[[(2S)-3-(1H-indol-3-yl)-1-oxido-1-oxopropan-2-yl]amino]-4-oxobutanoate Traditional Name: (3S)-3-ammonio-4-[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-oxido-ethyl]amino]-4-keto-butyrate Formula: C15H16N3O5- MolecularWeight: 318.30464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])NC(=O)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C15H17N3O5/c16-10(6-13(19)20)14(21)18-12(15(22)23)5-8-7-17-11-4-2-1-3-9(8)11/h1-4,7,10,12,17H,5-6,16H2,(H,18,21)(H,19,20)(H,22,23)/p-1/t10-,12-/m0/s1