3-[4-(6-azanylpyridin-2-yl)butanoyl-[2-(cyclopropylamino)ethanoyl]amino]-5-phenyl-pentanoic acid

Systemtic Name: 3-[4-(6-azanylpyridin-2-yl)butanoyl-[2-(cyclopropylamino)ethanoyl]amino]-5-phenyl-pentanoic acid Openeye Name: 3-[4-(6-amino-2-pyridyl)butanoyl-[2-(cyclopropylamino)acetyl]amino]-5-phenyl-pentanoic acid CAS Name: 3-[[4-(6-amino-2-pyridinyl)-1-oxobutyl]-[2-(cyclopropylamino)-1-oxoethyl]amino]-5-phenylpentanoic acid IUPAC Name: 3-[4-(6-aminopyridin-2-yl)butanoyl-[2-(cyclopropylamino)acetyl]amino]-5-phenylpentanoic acid Traditional Name: 3-[4-(6-amino-2-pyridyl)butanoyl-[2-(cyclopropylamino)acetyl]amino]-5-phenyl-valeric acid Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NCC(=O)N(C(CCC2=CC=CC=C2)CC(=O)O)C(=O)CCCC3=NC(=CC=C3)N

Isomeric SMILES

C1CC1NCC(=O)N(C(CCC2=CC=CC=C2)CC(=O)O)C(=O)CCCC3=NC(=CC=C3)N

InChI

InChI=1S/C25H32N4O4/c26-22-10-4-8-20(28-22)9-5-11-23(30)29(24(31)17-27-19-13-14-19)21(16-25(32)33)15-12-18-6-2-1-3-7-18/h1-4,6-8,10,19,21,27H,5,9,11-17H2,(H2,26,28)(H,32,33)