2-[2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]ethanoate

Systemtic Name: 2-[2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]ethanoate Openeye Name: 2-[[2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetate CAS Name: 2-[[2-[[(2S)-2-ammonio-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[(2S)-2-ammonio-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetate Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O4/c16-11(15(23)19-7-13(20)18-8-14(21)22)5-9-6-17-12-4-2-1-3-10(9)12/h1-4,6,11,17H,5,7-8,16H2,(H,18,20)(H,19,23)(H,21,22)/t11-/m0/s1