N-[1-[(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-(phenylmethyl)amino]-2-oxidanyl-propyl]-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: N-[1-[(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-(phenylmethyl)amino]-2-oxidanyl-propyl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[1-[benzyl-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-amino]-2-hydroxy-propyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[1-[(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-2-hydroxypropyl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[1-[benzyl-(3-cyclopentyloxy-4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[1-[benzyl-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-amino]-2-hydroxy-propyl]-2-(quinaldoylamino)succinamide Formula: C36H41N5O8S MolecularWeight: 703.80444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(NC(=O)C(CC(=O)N)NC(=O)C1=NC2=CC=CC=C2C=C1)N(CC3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC5CCCC5)O

Isomeric SMILES

CC(C(NC(=O)C(CC(=O)N)NC(=O)C1=NC2=CC=CC=C2C=C1)N(CC3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC5CCCC5)O

InChI

InChI=1S/C36H41N5O8S/c1-23(42)34(40-36(45)30(21-33(37)43)39-35(44)29-18-16-25-12-6-9-15-28(25)38-29)41(22-24-10-4-3-5-11-24)50(46,47)27-17-19-31(48-2)32(20-27)49-26-13-7-8-14-26/h3-6,9-12,15-20,23,26,30,34,42H,7-8,13-14,21-22H2,1-2H3,(H2,37,43)(H,39,44)(H,40,45)