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

Systemtic Name: N1-[4-[butyl-(2-phenylethanoylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-5-sulfamoyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-3-[butyl-[(2-phenylacetyl)amino]amino]-2-hydroxy-propyl]-N3,N3-dipropyl-5-sulfamoyl-benzene-1,3-dicarboxamide CAS Name: N1-[4-[butyl-[(1-oxo-2-phenylethyl)amino]amino]-3-hydroxy-1-phenylbutan-2-yl]-N3,N3-dipropyl-5-sulfamoylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[4-[butyl-[(2-phenylacetyl)amino]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropyl-5-sulfamoylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-3-[butyl-[(2-phenylacetyl)amino]amino]-2-hydroxy-propyl]-N',N'-dipropyl-5-sulfamoyl-isophthalamide Formula: C36H49N5O6S MolecularWeight: 679.86916

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C36H49N5O6S/c1-4-7-20-41(39-34(43)22-28-16-12-9-13-17-28)26-33(42)32(21-27-14-10-8-11-15-27)38-35(44)29-23-30(25-31(24-29)48(37,46)47)36(45)40(18-5-2)19-6-3/h8-17,23-25,32-33,42H,4-7,18-22,26H2,1-3H3,(H,38,44)(H,39,43)(H2,37,46,47)