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

Systemtic Name: N1-[4-[methyl-(3-methylbutanoylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-5-sulfamoyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-2-hydroxy-3-[methyl-(3-methylbutanoylamino)amino]propyl]-N3,N3-dipropyl-5-sulfamoyl-benzene-1,3-dicarboxamide CAS Name: N1-[3-hydroxy-4-[methyl-[(3-methyl-1-oxobutyl)amino]amino]-1-phenylbutan-2-yl]-N3,N3-dipropyl-5-sulfamoylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[3-hydroxy-4-[methyl-(3-methylbutanoylamino)amino]-1-phenylbutan-2-yl]-3-N,3-N-dipropyl-5-sulfamoylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-2-hydroxy-3-[(isovalerylamino)-methyl-amino]propyl]-N',N'-dipropyl-5-sulfamoyl-isophthalamide Formula: C30H45N5O6S MolecularWeight: 603.7732

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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(C)NC(=O)CC(C)C)O)S(=O)(=O)N

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CN(C)NC(=O)CC(C)C)O)S(=O)(=O)N

InChI

InChI=1S/C30H45N5O6S/c1-6-13-35(14-7-2)30(39)24-17-23(18-25(19-24)42(31,40)41)29(38)32-26(16-22-11-9-8-10-12-22)27(36)20-34(5)33-28(37)15-21(3)4/h8-12,17-19,21,26-27,36H,6-7,13-16,20H2,1-5H3,(H,32,38)(H,33,37)(H2,31,40,41)