3-[[1-(butylamino)-1-oxidanylidene-3-(4-phenylphenyl)propan-2-yl]carbamoyl-(3-methylbutyl)amino]-N-oxidanyl-4-phenylsulfanyl-butanamide

Systemtic Name: 3-[[1-(butylamino)-1-oxidanylidene-3-(4-phenylphenyl)propan-2-yl]carbamoyl-(3-methylbutyl)amino]-N-oxidanyl-4-phenylsulfanyl-butanamide Openeye Name: N-butyl-2-[[[3-(hydroxyamino)-3-oxo-1-(phenylsulfanylmethyl)propyl]-isopentyl-carbamoyl]amino]-3-(4-phenylphenyl)propanamide CAS Name: 3-[[[[1-(butylamino)-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-oxomethyl]-(3-methylbutyl)amino]-N-hydroxy-4-(phenylthio)butanamide IUPAC Name: 3-[[1-(butylamino)-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamoyl-(3-methylbutyl)amino]-N-hydroxy-4-phenylsulfanylbutanamide Traditional Name: N-butyl-2-[[[3-(hydroxyamino)-3-keto-1-[(phenylthio)methyl]propyl]-isoamyl-carbamoyl]amino]-3-(4-phenylphenyl)propionamide Formula: C35H46N4O4S MolecularWeight: 618.82914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)N(CCC(C)C)C(CC(=O)NO)CSC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)N(CCC(C)C)C(CC(=O)NO)CSC3=CC=CC=C3

InChI

InChI=1S/C35H46N4O4S/c1-4-5-21-36-34(41)32(23-27-16-18-29(19-17-27)28-12-8-6-9-13-28)37-35(42)39(22-20-26(2)3)30(24-33(40)38-43)25-44-31-14-10-7-11-15-31/h6-19,26,30,32,43H,4-5,20-25H2,1-3H3,(H,36,41)(H,37,42)(H,38,40)