N-[4-[butylcarbamoyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbamoylamino)butanediamide

Systemtic Name: N-[4-[butylcarbamoyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbamoylamino)butanediamide Openeye Name: N-[1-benzyl-3-[butylcarbamoyl(isobutyl)amino]-2-hydroxy-propyl]-2-(2-quinolylcarbamoylamino)butanediamide CAS Name: N-[4-[[butylamino(oxo)methyl]-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[oxo-(2-quinolinylamino)methyl]amino]butanediamide IUPAC Name: N-[4-[butylcarbamoyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylcarbamoylamino)butanediamide Traditional Name: N-[1-benzyl-3-[butylcarbamoyl(isobutyl)amino]-2-hydroxy-propyl]-2-(2-quinolylcarbamoylamino)succinamide Formula: C33H45N7O5 MolecularWeight: 619.7543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CC(C)C)CC(C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)NC2=NC3=CC=CC=C3C=C2)O

Isomeric SMILES

CCCCNC(=O)N(CC(C)C)CC(C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)NC2=NC3=CC=CC=C3C=C2)O

InChI

InChI=1S/C33H45N7O5/c1-4-5-17-35-33(45)40(20-22(2)3)21-28(41)26(18-23-11-7-6-8-12-23)37-31(43)27(19-29(34)42)38-32(44)39-30-16-15-24-13-9-10-14-25(24)36-30/h6-16,22,26-28,41H,4-5,17-21H2,1-3H3,(H2,34,42)(H,35,45)(H,37,43)(H2,36,38,39,44)