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

Systemtic Name: N1-[4-[butyl-(2-phenylethanoylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-[1-benzyl-3-[butyl-[(2-phenylacetyl)amino]amino]-2-hydroxy-propyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-[4-[butyl-[(1-oxo-2-phenylethyl)amino]amino]-3-hydroxy-1-phenylbutan-2-yl]-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-[4-[butyl-[(2-phenylacetyl)amino]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-[1-benzyl-3-[butyl-[(2-phenylacetyl)amino]amino]-2-hydroxy-propyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C37H49N5O5 MolecularWeight: 643.81546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C(=O)N)C(=O)N(CCC)CCC)O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCN(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C(=O)N)C(=O)N(CCC)CCC)O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C37H49N5O5/c1-4-7-20-42(40-34(44)22-28-16-12-9-13-17-28)26-33(43)32(21-27-14-10-8-11-15-27)39-36(46)30-23-29(35(38)45)24-31(25-30)37(47)41(18-5-2)19-6-3/h8-17,23-25,32-33,43H,4-7,18-22,26H2,1-3H3,(H2,38,45)(H,39,46)(H,40,44)