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

Systemtic Name: (2S)-6-azaniumyl-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]hexanoate Openeye Name: (2S)-6-azaniumyl-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]hexanoate CAS Name: (2S)-6-ammonio-2-[[(2S)-2-ammonio-3-(1H-indol-3-yl)-1-oxopropyl]amino]hexanoate IUPAC Name: (2S)-6-azaniumyl-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]hexanoate Traditional Name: (2S)-6-ammonio-2-[[(2S)-2-ammonio-3-(1H-indol-3-yl)propanoyl]amino]hexanoate Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3/c18-8-4-3-7-15(17(23)24)21-16(22)13(19)9-11-10-20-14-6-2-1-5-12(11)14/h1-2,5-6,10,13,15,20H,3-4,7-9,18-19H2,(H,21,22)(H,23,24)/p+1/t13-,15-/m0/s1