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

Systemtic Name: 5-ethynyl-N1-[4-[methyl-(3-methylbutanoylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-2-hydroxy-3-[methyl-(3-methylbutanoylamino)amino]propyl]-5-ethynyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: 5-ethynyl-N1-[3-hydroxy-4-[methyl-[(3-methyl-1-oxobutyl)amino]amino]-1-phenylbutan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 5-ethynyl-1-N-[3-hydroxy-4-[methyl-(3-methylbutanoylamino)amino]-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-2-hydroxy-3-[(isovalerylamino)-methyl-amino]propyl]-5-ethynyl-N',N'-dipropyl-isophthalamide Formula: C32H44N4O4 MolecularWeight: 548.71616

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CN(C)NC(=O)CC(C)C)O)C#C

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CN(C)NC(=O)CC(C)C)O)C#C

InChI

InChI=1S/C32H44N4O4/c1-7-15-36(16-8-2)32(40)27-19-24(9-3)18-26(21-27)31(39)33-28(20-25-13-11-10-12-14-25)29(37)22-35(6)34-30(38)17-23(4)5/h3,10-14,18-19,21,23,28-29,37H,7-8,15-17,20,22H2,1-2,4-6H3,(H,33,39)(H,34,38)