2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]pentanedioic acid Traditional Name: 2-[[3-phenyl-2-(tyrosylamino)propanoyl]amino]glutaric acid Formula: C23H27N3O7 MolecularWeight: 457.47638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C23H27N3O7/c24-17(12-15-6-8-16(27)9-7-15)21(30)26-19(13-14-4-2-1-3-5-14)22(31)25-18(23(32)33)10-11-20(28)29/h1-9,17-19,27H,10-13,24H2,(H,25,31)(H,26,30)(H,28,29)(H,32,33)