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

Systemtic Name: 5-ethynyl-N1-[4-[methyl-(2-methylpropanoylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-2-hydroxy-3-[methyl-(2-methylpropanoylamino)amino]propyl]-5-ethynyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: 5-ethynyl-N1-[3-hydroxy-4-[methyl-[(2-methyl-1-oxopropyl)amino]amino]-1-phenylbutan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 5-ethynyl-1-N-[3-hydroxy-4-[methyl-(2-methylpropanoylamino)amino]-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-2-hydroxy-3-[(isobutyrylamino)-methyl-amino]propyl]-5-ethynyl-N',N'-dipropyl-isophthalamide Formula: C31H42N4O4 MolecularWeight: 534.68958

Click to see the large picture

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)C(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)C(C)C)O)C#C

InChI

InChI=1S/C31H42N4O4/c1-7-15-35(16-8-2)31(39)26-18-23(9-3)17-25(20-26)30(38)32-27(19-24-13-11-10-12-14-24)28(36)21-34(6)33-29(37)22(4)5/h3,10-14,17-18,20,22,27-28,36H,7-8,15-16,19,21H2,1-2,4-6H3,(H,32,38)(H,33,37)