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

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoic acid Traditional Name: 3-hydroxy-2-[[3-phenyl-2-(tyrosylamino)propanoyl]amino]butyric acid Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)N)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)N)O

InChI

InChI=1S/C22H27N3O6/c1-13(26)19(22(30)31)25-21(29)18(12-14-5-3-2-4-6-14)24-20(28)17(23)11-15-7-9-16(27)10-8-15/h2-10,13,17-19,26-27H,11-12,23H2,1H3,(H,24,28)(H,25,29)(H,30,31)