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

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]butanedioic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]butanedioic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]butanedioic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]butanedioic acid Traditional Name: 2-[[3-phenyl-2-(tyrosylamino)propanoyl]amino]succinic acid Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H25N3O7/c23-16(10-14-6-8-15(26)9-7-14)20(29)24-17(11-13-4-2-1-3-5-13)21(30)25-18(22(31)32)12-19(27)28/h1-9,16-18,26H,10-12,23H2,(H,24,29)(H,25,30)(H,27,28)(H,31,32)