N-[6-azanyl-1-oxidanylidene-1-(4-pyridin-4-ylpiperidin-1-yl)hexan-2-yl]-N-(2-azanyl-3-phenyl-propanoyl)-3-oxidanylidene-2-quinolin-3-yl-piperazine-1-carboxamide

Systemtic Name: N-[6-azanyl-1-oxidanylidene-1-(4-pyridin-4-ylpiperidin-1-yl)hexan-2-yl]-N-(2-azanyl-3-phenyl-propanoyl)-3-oxidanylidene-2-quinolin-3-yl-piperazine-1-carboxamide Openeye Name: N-(2-amino-3-phenyl-propanoyl)-N-[5-amino-1-[4-(4-pyridyl)piperidine-1-carbonyl]pentyl]-3-oxo-2-(3-quinolyl)piperazine-1-carboxamide CAS Name: N-(2-amino-1-oxo-3-phenylpropyl)-N-[6-amino-1-oxo-1-(4-pyridin-4-yl-1-piperidinyl)hexan-2-yl]-3-oxo-2-(3-quinolinyl)-1-piperazinecarboxamide IUPAC Name: N-[6-amino-1-oxo-1-(4-pyridin-4-ylpiperidin-1-yl)hexan-2-yl]-N-(2-amino-3-phenylpropanoyl)-3-oxo-2-quinolin-3-ylpiperazine-1-carboxamide Traditional Name: N-[5-amino-1-[4-(4-pyridyl)piperidine-1-carbonyl]pentyl]-3-keto-N-phenylalanyl-2-(3-quinolyl)piperazine-1-carboxamide Formula: C39H46N8O4 MolecularWeight: 690.83374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=NC=C2)C(=O)C(CCCCN)N(C(=O)C(CC3=CC=CC=C3)N)C(=O)N4CCNC(=O)C4C5=CC6=CC=CC=C6N=C5

Isomeric SMILES

C1CN(CCC1C2=CC=NC=C2)C(=O)C(CCCCN)N(C(=O)C(CC3=CC=CC=C3)N)C(=O)N4CCNC(=O)C4C5=CC6=CC=CC=C6N=C5

InChI

InChI=1S/C39H46N8O4/c40-17-7-6-12-34(38(50)45-21-15-29(16-22-45)28-13-18-42-19-14-28)47(37(49)32(41)24-27-8-2-1-3-9-27)39(51)46-23-20-43-36(48)35(46)31-25-30-10-4-5-11-33(30)44-26-31/h1-5,8-11,13-14,18-19,25-26,29,32,34-35H,6-7,12,15-17,20-24,40-41H2,(H,43,48)