2-azanyl-3-[2,3-bis[2-azanyl-3-(4-hydroxyphenyl)propanoyl]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2,3-bis[2-azanyl-3-(4-hydroxyphenyl)propanoyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[2,3-bis[2-amino-3-(4-hydroxyphenyl)propanoyl]phenyl]propanoic acid CAS Name: 2-amino-3-[2,3-bis[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[2,3-bis[2-amino-3-(4-hydroxyphenyl)propanoyl]phenyl]propanoic acid Traditional Name: 2-amino-3-(2,3-dityrosylphenyl)propionic acid Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CC(C(=O)O)N)C(=O)C(CC2=CC=C(C=C2)O)N)C(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

C1=CC(=C(C(=C1)CC(C(=O)O)N)C(=O)C(CC2=CC=C(C=C2)O)N)C(=O)C(CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C27H29N3O6/c28-21(12-15-4-8-18(31)9-5-15)25(33)20-3-1-2-17(14-23(30)27(35)36)24(20)26(34)22(29)13-16-6-10-19(32)11-7-16/h1-11,21-23,31-32H,12-14,28-30H2,(H,35,36)