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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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