N-[1-[tert-butylcarbamoyl(3-methylbutyl)amino]-2-oxidanyl-heptan-3-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: N-[1-[tert-butylcarbamoyl(3-methylbutyl)amino]-2-oxidanyl-heptan-3-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[1-[2-[tert-butylcarbamoyl(isopentyl)amino]-1-hydroxy-ethyl]pentyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[1-[[(tert-butylamino)-oxomethyl]-(3-methylbutyl)amino]-2-hydroxyheptan-3-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[1-[tert-butylcarbamoyl(3-methylbutyl)amino]-2-hydroxyheptan-3-yl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[1-[2-[tert-butylcarbamoyl(isoamyl)amino]-1-hydroxy-ethyl]pentyl]-2-(quinaldoylamino)succinamide Formula: C31H48N6O5 MolecularWeight: 584.75002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CN(CCC(C)C)C(=O)NC(C)(C)C)O)NC(=O)C(CC(=O)N)NC(=O)C1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCC(C(CN(CCC(C)C)C(=O)NC(C)(C)C)O)NC(=O)C(CC(=O)N)NC(=O)C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C31H48N6O5/c1-7-8-12-23(26(38)19-37(17-16-20(2)3)30(42)36-31(4,5)6)34-29(41)25(18-27(32)39)35-28(40)24-15-14-21-11-9-10-13-22(21)33-24/h9-11,13-15,20,23,25-26,38H,7-8,12,16-19H2,1-6H3,(H2,32,39)(H,34,41)(H,35,40)(H,36,42)