2-azanyl-3-[3-(2-azanyl-3-phenyl-propanoyl)-4-phenylmethoxycarbonyl-cyclohexa-1,3,5-trien-1-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(2-azanyl-3-phenyl-propanoyl)-4-phenylmethoxycarbonyl-cyclohexa-1,3,5-trien-1-yl]propanoic acid Openeye Name: 2-amino-3-[3-(2-amino-3-phenyl-propanoyl)-4-benzyloxycarbonyl-cyclohexa-1,3,5-trien-1-yl]propanoic acid CAS Name: 2-amino-3-[3-(2-amino-1-oxo-3-phenylpropyl)-4-phenylmethoxycarbonyl-1-cyclohexa-1,3,5-trienyl]propanoic acid IUPAC Name: 2-amino-3-[3-(2-amino-3-phenylpropanoyl)-4-phenylmethoxycarbonylcyclohexa-1,3,5-trien-1-yl]propanoic acid Traditional Name: 2-amino-3-(4-carbobenzoxy-3-phenylalanyl-cyclohexa-1,3,5-trien-1-yl)propionic acid Formula: C26H25N2O5 MolecularWeight: 445.4871

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C2=[C]C(=CC=C2C(=O)OCC3=CC=CC=C3)CC(C(=O)O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)C2=[C]C(=CC=C2C(=O)OCC3=CC=CC=C3)CC(C(=O)O)N)N

InChI

InChI=1S/C26H25N2O5/c27-22(14-17-7-3-1-4-8-17)24(29)21-13-19(15-23(28)25(30)31)11-12-20(21)26(32)33-16-18-9-5-2-6-10-18/h1-12,22-23H,14-16,27-28H2,(H,30,31)