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

Systemtic Name: 3-methyl-5-[(3-methyl-5-oxidanyl-3-phenyl-pentyl)carbamothioylamino]-3-phenyl-pentanoic acid Openeye Name: 5-[(5-hydroxy-3-methyl-3-phenyl-pentyl)carbamothioylamino]-3-methyl-3-phenyl-pentanoic acid CAS Name: 5-[[[(5-hydroxy-3-methyl-3-phenylpentyl)amino]-sulfanylidenemethyl]amino]-3-methyl-3-phenylpentanoic acid IUPAC Name: 5-[(5-hydroxy-3-methyl-3-phenylpentyl)carbamothioylamino]-3-methyl-3-phenylpentanoic acid Traditional Name: 5-[(5-hydroxy-3-methyl-3-phenyl-pentyl)thiocarbamoylamino]-3-methyl-3-phenyl-valeric acid Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O3S/c1-24(15-18-28,20-9-5-3-6-10-20)13-16-26-23(31)27-17-14-25(2,19-22(29)30)21-11-7-4-8-12-21/h3-12,28H,13-19H2,1-2H3,(H,29,30)(H2,26,27,31)