2-[2-[[(2R)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoate

Systemtic Name: 2-[2-[[(2R)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoate Openeye Name: 2-[[2-[[(2R)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetate CAS Name: 2-[[2-[[(2R)-2-ammonio-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-[[(2R)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[(2R)-2-ammonio-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetate Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c14-10(5-8-1-3-9(17)4-2-8)13(21)16-6-11(18)15-7-12(19)20/h1-4,10,17H,5-7,14H2,(H,15,18)(H,16,21)(H,19,20)/t10-/m1/s1