(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[(2S)-2-ammoniopropanoyl]amino]-3-(4-hydroxyphenyl)propionate Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)[O-])[NH3+]

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1