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

Systemtic Name: ethyl 3-[4-(2-azanylpyridin-4-yl)butanoyl-[2-(cyclopropylamino)ethanoyl]amino]-5-phenyl-pentanoate Openeye Name: ethyl 3-[4-(2-amino-4-pyridyl)butanoyl-[2-(cyclopropylamino)acetyl]amino]-5-phenyl-pentanoate CAS Name: 3-[[4-(2-amino-4-pyridinyl)-1-oxobutyl]-[2-(cyclopropylamino)-1-oxoethyl]amino]-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-aminopyridin-4-yl)butanoyl-[2-(cyclopropylamino)acetyl]amino]-5-phenylpentanoate Traditional Name: 3-[4-(2-amino-4-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=CC(=NC=C2)N)C(=O)CNC3CC3

Isomeric SMILES

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

InChI

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