4-pyridin-4-ylbutanoyl 3-[(2-azanyl-2-phenyl-ethanoyl)amino]-5-phenyl-pentanoate

Systemtic Name: 4-pyridin-4-ylbutanoyl 3-[(2-azanyl-2-phenyl-ethanoyl)amino]-5-phenyl-pentanoate Openeye Name: 4-(4-pyridyl)butanoyl 3-[(2-amino-2-phenyl-acetyl)amino]-5-phenyl-pentanoate CAS Name: 3-[(2-amino-1-oxo-2-phenylethyl)amino]-5-phenylpentanoic acid (1-oxo-4-pyridin-4-ylbutyl) ester IUPAC Name: 4-pyridin-4-ylbutanoyl 3-[(2-amino-2-phenylacetyl)amino]-5-phenylpentanoate Traditional Name: 3-[(2-amino-2-phenyl-acetyl)amino]-5-phenyl-valeric acid 4-(4-pyridyl)butanoyl ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CC(=O)OC(=O)CCCC2=CC=NC=C2)NC(=O)C(C3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(CC(=O)OC(=O)CCCC2=CC=NC=C2)NC(=O)C(C3=CC=CC=C3)N

InChI

InChI=1S/C28H31N3O4/c29-27(23-11-5-2-6-12-23)28(34)31-24(15-14-21-8-3-1-4-9-21)20-26(33)35-25(32)13-7-10-22-16-18-30-19-17-22/h1-6,8-9,11-12,16-19,24,27H,7,10,13-15,20,29H2,(H,31,34)