3-methyl-5-[(3-methyl-5-oxidanyl-5-oxidanylidene-3-phenyl-pentyl)carbamothioylamino]-3-phenyl-pentanoic acid

Systemtic Name: 3-methyl-5-[(3-methyl-5-oxidanyl-5-oxidanylidene-3-phenyl-pentyl)carbamothioylamino]-3-phenyl-pentanoic acid Openeye Name: 5-[(5-hydroxy-3-methyl-5-oxo-3-phenyl-pentyl)carbamothioylamino]-3-methyl-3-phenyl-pentanoic acid CAS Name: 5-[[[(5-hydroxy-3-methyl-5-oxo-3-phenylpentyl)amino]-sulfanylidenemethyl]amino]-3-methyl-3-phenylpentanoic acid IUPAC Name: 5-[(5-hydroxy-3-methyl-5-oxo-3-phenylpentyl)carbamothioylamino]-3-methyl-3-phenylpentanoic acid Traditional Name: 5-[(5-hydroxy-5-keto-3-methyl-3-phenyl-pentyl)thiocarbamoylamino]-3-methyl-3-phenyl-valeric acid Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=S)NCCC(C)(CC(=O)O)C1=CC=CC=C1)(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(CCNC(=S)NCCC(C)(CC(=O)O)C1=CC=CC=C1)(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C25H32N2O4S/c1-24(17-21(28)29,19-9-5-3-6-10-19)13-15-26-23(32)27-16-14-25(2,18-22(30)31)20-11-7-4-8-12-20/h3-12H,13-18H2,1-2H3,(H,28,29)(H,30,31)(H2,26,27,32)