2-[[2-(2-azaniumylethanoylamino)-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: 2-[[2-(2-azaniumylethanoylamino)-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: 2-[[2-[(2-azaniumylacetyl)amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[2-[(2-ammonio-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-3-(4-hydroxyphenyl)propanoate IUPAC Name: 2-[[2-[(2-azaniumylacetyl)amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[[2-[(2-ammonioacetyl)amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propionate Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)[O-])NC(=O)C[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)[O-])NC(=O)C[NH3+]

InChI

InChI=1S/C20H23N3O5/c21-12-18(25)22-16(10-13-4-2-1-3-5-13)19(26)23-17(20(27)28)11-14-6-8-15(24)9-7-14/h1-9,16-17,24H,10-12,21H2,(H,22,25)(H,23,26)(H,27,28)