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

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-3-oxidanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-3-hydroxy-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-[[(2S)-2-ammonio-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propionate Formula: C9H14N4O4 MolecularWeight: 242.23186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N4O4/c10-6(3-14)8(15)13-7(9(16)17)1-5-2-11-4-12-5/h2,4,6-7,14H,1,3,10H2,(H,11,12)(H,13,15)(H,16,17)/t6-,7-/m0/s1