(2S)-2-azaniumyl-6-[2-(1H-indol-3-yl)ethanoylamino]hexanoate

Systemtic Name: (2S)-2-azaniumyl-6-[2-(1H-indol-3-yl)ethanoylamino]hexanoate Openeye Name: (2S)-2-azaniumyl-6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoate CAS Name: (2S)-2-ammonio-6-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]hexanoate IUPAC Name: (2S)-2-azaniumyl-6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoate Traditional Name: (2S)-2-ammonio-6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoate Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3/c17-13(16(21)22)6-3-4-8-18-15(20)9-11-10-19-14-7-2-1-5-12(11)14/h1-2,5,7,10,13,19H,3-4,6,8-9,17H2,(H,18,20)(H,21,22)/t13-/m0/s1