2-[[(2S)-2-(2-azaniumylethanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]ethanoate

Systemtic Name: 2-[[(2S)-2-(2-azaniumylethanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetate CAS Name: 2-[[(2S)-2-[(2-ammonio-1-oxoethyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]acetate IUPAC Name: 2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-[(2-ammonioacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetate Formula: C13H17N3O5 MolecularWeight: 295.29118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c14-6-11(18)16-10(13(21)15-7-12(19)20)5-8-1-3-9(17)4-2-8/h1-4,10,17H,5-7,14H2,(H,15,21)(H,16,18)(H,19,20)/t10-/m0/s1