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

Systemtic Name: N1-[4-[ethyl-(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-[ethyl-(3-methylbutanoylamino)amino]-2-hydroxy-propyl]-N3,N3-dipropyl-5-sulfamoyl-benzene-1,3-dicarboxamide CAS Name: N1-[4-[ethyl-[(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-[ethyl-(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-[ethyl-(isovalerylamino)amino]-2-hydroxy-propyl]-N',N'-dipropyl-5-sulfamoyl-isophthalamide Formula: C31H47N5O6S MolecularWeight: 617.79978

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

InChI

InChI=1S/C31H47N5O6S/c1-6-14-35(15-7-2)31(40)25-18-24(19-26(20-25)43(32,41)42)30(39)33-27(17-23-12-10-9-11-13-23)28(37)21-36(8-3)34-29(38)16-22(4)5/h9-13,18-20,22,27-28,37H,6-8,14-17,21H2,1-5H3,(H,33,39)(H,34,38)(H2,32,41,42)