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

Systemtic Name: N1-[4-[ethyl-(2-phenylethanoylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-5-prop-1-ynyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-3-[ethyl-[(2-phenylacetyl)amino]amino]-2-hydroxy-propyl]-N3,N3-dipropyl-5-prop-1-ynyl-benzene-1,3-dicarboxamide CAS Name: N1-[4-[ethyl-[(1-oxo-2-phenylethyl)amino]amino]-3-hydroxy-1-phenylbutan-2-yl]-N3,N3-dipropyl-5-prop-1-ynylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[4-[ethyl-[(2-phenylacetyl)amino]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropyl-5-prop-1-ynylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-3-[ethyl-[(2-phenylacetyl)amino]amino]-2-hydroxy-propyl]-N',N'-dipropyl-5-prop-1-ynyl-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(CC)NC(=O)CC3=CC=CC=C3)O)C#CC

Isomeric SMILES

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

InChI

InChI=1S/C37H46N4O4/c1-5-15-30-22-31(26-32(23-30)37(45)40(20-6-2)21-7-3)36(44)38-33(24-28-16-11-9-12-17-28)34(42)27-41(8-4)39-35(43)25-29-18-13-10-14-19-29/h9-14,16-19,22-23,26,33-34,42H,6-8,20-21,24-25,27H2,1-4H3,(H,38,44)(H,39,43)