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

Systemtic Name: 5-ethynyl-N1-[3-oxidanyl-1-phenyl-4-[(2-phenylethanoylamino)-propyl-amino]butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-2-hydroxy-3-[[(2-phenylacetyl)amino]-propyl-amino]propyl]-5-ethynyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: 5-ethynyl-N1-[3-hydroxy-4-[[(1-oxo-2-phenylethyl)amino]-propylamino]-1-phenylbutan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 5-ethynyl-1-N-[3-hydroxy-1-phenyl-4-[[(2-phenylacetyl)amino]-propylamino]butan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-2-hydroxy-3-[[(2-phenylacetyl)amino]-propyl-amino]propyl]-5-ethynyl-N',N'-dipropyl-isophthalamide Formula: C37H46N4O4 MolecularWeight: 610.78554

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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(CCC)NC(=O)CC3=CC=CC=C3)O)C#C

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CN(CCC)NC(=O)CC3=CC=CC=C3)O)C#C

InChI

InChI=1S/C37H46N4O4/c1-5-19-40(20-6-2)37(45)32-23-28(8-4)22-31(26-32)36(44)38-33(24-29-15-11-9-12-16-29)34(42)27-41(21-7-3)39-35(43)25-30-17-13-10-14-18-30/h4,9-18,22-23,26,33-34,42H,5-7,19-21,24-25,27H2,1-3H3,(H,38,44)(H,39,43)