[3,5-diaminocarbonyl-2-(2-azanyl-3-phenyl-propanoyl)oxy-pyridin-4-yl] 2-azanyl-3-phenyl-propanoate

Systemtic Name: [3,5-diaminocarbonyl-2-(2-azanyl-3-phenyl-propanoyl)oxy-pyridin-4-yl] 2-azanyl-3-phenyl-propanoate Openeye Name: [2-(2-amino-3-phenyl-propanoyl)oxy-3,5-dicarbamoyl-4-pyridyl] 2-amino-3-phenyl-propanoate CAS Name: 2-amino-3-phenylpropanoic acid [2-(2-amino-1-oxo-3-phenylpropoxy)-3,5-dicarbamoyl-4-pyridinyl] ester IUPAC Name: [2-(2-amino-3-phenylpropanoyl)oxy-3,5-dicarbamoylpyridin-4-yl] 2-amino-3-phenylpropanoate Traditional Name: 2-amino-3-phenyl-propionic acid (3,5-dicarbamoyl-2-phenylalanyloxy-4-pyridyl) ester Formula: C25H25N5O6 MolecularWeight: 491.4959

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OC2=C(C(=NC=C2C(=O)N)OC(=O)C(CC3=CC=CC=C3)N)C(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OC2=C(C(=NC=C2C(=O)N)OC(=O)C(CC3=CC=CC=C3)N)C(=O)N)N

InChI

InChI=1S/C25H25N5O6/c26-17(11-14-7-3-1-4-8-14)24(33)35-20-16(21(28)31)13-30-23(19(20)22(29)32)36-25(34)18(27)12-15-9-5-2-6-10-15/h1-10,13,17-18H,11-12,26-27H2,(H2,28,31)(H2,29,32)