(2S)-2-[[(2S)-2-azaniumyl-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-3-hydroxy-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[(2S)-2-ammonio-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propionate Formula: C12H16N2O5 MolecularWeight: 268.26584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)[O-])NC(=O)C(CO)[NH3+])O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)[O-])NC(=O)[C@H](CO)[NH3+])O

InChI

InChI=1S/C12H16N2O5/c13-9(6-15)11(17)14-10(12(18)19)5-7-1-3-8(16)4-2-7/h1-4,9-10,15-16H,5-6,13H2,(H,14,17)(H,18,19)/t9-,10-/m0/s1