(2S)-2-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-1-oxo-3-phenylpropyl]amino]-3-hydroxypropanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-3-phenylpropanoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[(2S)-2-ammonio-3-phenyl-propanoyl]amino]-3-hydroxy-propionate Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c13-9(6-8-4-2-1-3-5-8)11(16)14-10(7-15)12(17)18/h1-5,9-10,15H,6-7,13H2,(H,14,16)(H,17,18)/t9-,10-/m0/s1