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

Systemtic Name: N1-[3-oxidanyl-1-phenyl-4-[(2-phenylethanoylamino)-propyl-amino]butan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-[1-benzyl-2-hydroxy-3-[[(2-phenylacetyl)amino]-propyl-amino]propyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-[3-hydroxy-4-[[(1-oxo-2-phenylethyl)amino]-propylamino]-1-phenylbutan-2-yl]-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-[3-hydroxy-1-phenyl-4-[[(2-phenylacetyl)amino]-propylamino]butan-2-yl]-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-[1-benzyl-2-hydroxy-3-[[(2-phenylacetyl)amino]-propyl-amino]propyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C36H47N5O5 MolecularWeight: 629.78888

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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(=O)N

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(=O)N

InChI

InChI=1S/C36H47N5O5/c1-4-17-40(18-5-2)36(46)30-23-28(34(37)44)22-29(24-30)35(45)38-31(20-26-13-9-7-10-14-26)32(42)25-41(19-6-3)39-33(43)21-27-15-11-8-12-16-27/h7-16,22-24,31-32,42H,4-6,17-21,25H2,1-3H3,(H2,37,44)(H,38,45)(H,39,43)