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

Systemtic Name: N1-[4-[butyl-(2-methylpropanoylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-5-ethynyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-3-[butyl-(2-methylpropanoylamino)amino]-2-hydroxy-propyl]-5-ethynyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[4-[butyl-[(2-methyl-1-oxopropyl)amino]amino]-3-hydroxy-1-phenylbutan-2-yl]-5-ethynyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[4-[butyl-(2-methylpropanoylamino)amino]-3-hydroxy-1-phenylbutan-2-yl]-5-ethynyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-3-[butyl-(isobutyrylamino)amino]-2-hydroxy-propyl]-5-ethynyl-N',N'-dipropyl-isophthalamide Formula: C34H48N4O4 MolecularWeight: 576.76932

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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)C(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)C(C)C

InChI

InChI=1S/C34H48N4O4/c1-7-11-19-38(36-32(40)25(5)6)24-31(39)30(22-27-15-13-12-14-16-27)35-33(41)28-20-26(10-4)21-29(23-28)34(42)37(17-8-2)18-9-3/h4,12-16,20-21,23,25,30-31,39H,7-9,11,17-19,22,24H2,1-3,5-6H3,(H,35,41)(H,36,40)