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

Systemtic Name: ethyl 3-[4-(6-azanylpyridin-2-yl)butanoyl-[2-(cyclopropylamino)ethanoyl]amino]-5-phenyl-pentanoate Openeye Name: ethyl 3-[4-(6-amino-2-pyridyl)butanoyl-[2-(cyclopropylamino)acetyl]amino]-5-phenyl-pentanoate CAS Name: 3-[[4-(6-amino-2-pyridinyl)-1-oxobutyl]-[2-(cyclopropylamino)-1-oxoethyl]amino]-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(6-aminopyridin-2-yl)butanoyl-[2-(cyclopropylamino)acetyl]amino]-5-phenylpentanoate Traditional Name: 3-[4-(6-amino-2-pyridyl)butanoyl-[2-(cyclopropylamino)acetyl]amino]-5-phenyl-valeric acid ethyl ester Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CCC1=CC=CC=C1)N(C(=O)CCCC2=NC(=CC=C2)N)C(=O)CNC3CC3

Isomeric SMILES

CCOC(=O)CC(CCC1=CC=CC=C1)N(C(=O)CCCC2=NC(=CC=C2)N)C(=O)CNC3CC3

InChI

InChI=1S/C27H36N4O4/c1-2-35-27(34)18-23(17-14-20-8-4-3-5-9-20)31(26(33)19-29-21-15-16-21)25(32)13-7-11-22-10-6-12-24(28)30-22/h3-6,8-10,12,21,23,29H,2,7,11,13-19H2,1H3,(H2,28,30)