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

Systemtic Name: 2-[2-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]-3-phenyl-propanoate Openeye Name: 2-[[2-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[[2-ammonio-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-3-phenylpropanoate IUPAC Name: 2-[[2-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[[2-ammonio-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-phenyl-propionate Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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