(2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(2S)-2-ammonio-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2S)-2-ammonio-3-(1H-imidazol-5-yl)propanoyl]amino]glutarate Formula: C11H15N4O5- MolecularWeight: 283.2606

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)NC(CCC(=O)[O-])C(=O)[O-])[NH3+]

Isomeric SMILES

C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H16N4O5/c12-7(3-6-4-13-5-14-6)10(18)15-8(11(19)20)1-2-9(16)17/h4-5,7-8H,1-3,12H2,(H,13,14)(H,15,18)(H,16,17)(H,19,20)/p-1/t7-,8-/m0/s1