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

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(2S)-2-ammonio-3-(4-hydroxyphenyl)-1-oxopropyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2S)-2-ammonio-3-(4-hydroxyphenyl)propanoyl]amino]glutarate Formula: C14H17N2O6- MolecularWeight: 309.29458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6/c15-10(7-8-1-3-9(17)4-2-8)13(20)16-11(14(21)22)5-6-12(18)19/h1-4,10-11,17H,5-7,15H2,(H,16,20)(H,18,19)(H,21,22)/p-1/t10-,11-/m0/s1