(2S)-6-azaniumyl-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoate

Systemtic Name: (2S)-6-azaniumyl-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoate Openeye Name: (2S)-6-azaniumyl-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoate CAS Name: (2S)-6-ammonio-2-[[(2S)-2-ammonio-3-(4-hydroxyphenyl)-1-oxopropyl]amino]hexanoate IUPAC Name: (2S)-6-azaniumyl-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoate Traditional Name: (2S)-6-ammonio-2-[[(2S)-2-ammonio-3-(4-hydroxyphenyl)propanoyl]amino]hexanoate Formula: C15H24N3O4+ MolecularWeight: 310.36876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CCCC[NH3+])C(=O)[O-])[NH3+])O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-])[NH3+])O

InChI

InChI=1S/C15H23N3O4/c16-8-2-1-3-13(15(21)22)18-14(20)12(17)9-10-4-6-11(19)7-5-10/h4-7,12-13,19H,1-3,8-9,16-17H2,(H,18,20)(H,21,22)/p+1/t12-,13-/m0/s1