N1-[4-[butyl-(3-methylbutanoylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-5-ethynyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[4-[butyl-(3-methylbutanoylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-5-ethynyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-3-[butyl-(3-methylbutanoylamino)amino]-2-hydroxy-propyl]-5-ethynyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[4-[butyl-[(3-methyl-1-oxobutyl)amino]amino]-3-hydroxy-1-phenylbutan-2-yl]-5-ethynyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[4-[butyl-(3-methylbutanoylamino)amino]-3-hydroxy-1-phenylbutan-2-yl]-5-ethynyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-3-[butyl-(isovalerylamino)amino]-2-hydroxy-propyl]-5-ethynyl-N',N'-dipropyl-isophthalamide Formula: C35H50N4O4 MolecularWeight: 590.7959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C#C)C(=O)N(CCC)CCC)O)NC(=O)CC(C)C

Isomeric SMILES

CCCCN(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C#C)C(=O)N(CCC)CCC)O)NC(=O)CC(C)C

InChI

InChI=1S/C35H50N4O4/c1-7-11-19-39(37-33(41)20-26(5)6)25-32(40)31(23-28-15-13-12-14-16-28)36-34(42)29-21-27(10-4)22-30(24-29)35(43)38(17-8-2)18-9-3/h4,12-16,21-22,24,26,31-32,40H,7-9,11,17-20,23,25H2,1-3,5-6H3,(H,36,42)(H,37,41)