N-[[(2-azanyl-3-methyl-pentanoyl)-(6-phenylhexanoyl)amino]-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)methyl]-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: N-[[(2-azanyl-3-methyl-pentanoyl)-(6-phenylhexanoyl)amino]-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)methyl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[[(2-amino-3-methyl-pentanoyl)-(6-phenylhexanoyl)amino]-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)methyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[[(2-amino-3-methyl-1-oxopentyl)-(1-oxo-6-phenylhexyl)amino]-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)methyl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[[(2-amino-3-methylpentanoyl)-(6-phenylhexanoyl)amino]-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)methyl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[[(2-amino-3-methyl-pentanoyl)-(6-phenylhexanoyl)amino]-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)methyl]-2-(quinaldoylamino)succinamide Formula: C39H44N6O6 MolecularWeight: 692.80326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(C(C1=C2C(=CC=C1)O2)NC(=O)C(CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)C(=O)CCCCCC5=CC=CC=C5)N

Isomeric SMILES

CCC(C)C(C(=O)N(C(C1=C2C(=CC=C1)O2)NC(=O)C(CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)C(=O)CCCCCC5=CC=CC=C5)N

InChI

InChI=1S/C39H44N6O6/c1-3-24(2)34(41)39(50)45(33(47)20-9-5-8-15-25-13-6-4-7-14-25)36(27-17-12-19-31-35(27)51-31)44-38(49)30(23-32(40)46)43-37(48)29-22-21-26-16-10-11-18-28(26)42-29/h4,6-7,10-14,16-19,21-22,24,30,34,36H,3,5,8-9,15,20,23,41H2,1-2H3,(H2,40,46)(H,43,48)(H,44,49)