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

Systemtic Name: N1-[4-[butyl-(3-methylbutanoylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-5-sulfamoyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-3-[butyl-(3-methylbutanoylamino)amino]-2-hydroxy-propyl]-N3,N3-dipropyl-5-sulfamoyl-benzene-1,3-dicarboxamide CAS Name: N1-[4-[butyl-[(3-methyl-1-oxobutyl)amino]amino]-3-hydroxy-1-phenylbutan-2-yl]-N3,N3-dipropyl-5-sulfamoylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[4-[butyl-(3-methylbutanoylamino)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropyl-5-sulfamoylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-3-[butyl-(isovalerylamino)amino]-2-hydroxy-propyl]-N',N'-dipropyl-5-sulfamoyl-isophthalamide Formula: C33H51N5O6S MolecularWeight: 645.85294

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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)CC(C)C

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)CC(C)C

InChI

InChI=1S/C33H51N5O6S/c1-6-9-17-38(36-31(40)18-24(4)5)23-30(39)29(19-25-13-11-10-12-14-25)35-32(41)26-20-27(22-28(21-26)45(34,43)44)33(42)37(15-7-2)16-8-3/h10-14,20-22,24,29-30,39H,6-9,15-19,23H2,1-5H3,(H,35,41)(H,36,40)(H2,34,43,44)