2-methyl-5-[(4-methyl-5-oxidanyl-5-oxidanylidene-4-phenyl-pentyl)carbamothioylamino]-2-phenyl-pentanoic acid

Systemtic Name: 2-methyl-5-[(4-methyl-5-oxidanyl-5-oxidanylidene-4-phenyl-pentyl)carbamothioylamino]-2-phenyl-pentanoic acid Openeye Name: 5-[(5-hydroxy-4-methyl-5-oxo-4-phenyl-pentyl)carbamothioylamino]-2-methyl-2-phenyl-pentanoic acid CAS Name: 5-[[[(5-hydroxy-4-methyl-5-oxo-4-phenylpentyl)amino]-sulfanylidenemethyl]amino]-2-methyl-2-phenylpentanoic acid IUPAC Name: 5-[(5-hydroxy-4-methyl-5-oxo-4-phenylpentyl)carbamothioylamino]-2-methyl-2-phenylpentanoic acid Traditional Name: 5-[(5-hydroxy-5-keto-4-methyl-4-phenyl-pentyl)thiocarbamoylamino]-2-methyl-2-phenyl-valeric acid Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCNC(=S)NCCCC(C)(C1=CC=CC=C1)C(=O)O)(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CCCNC(=S)NCCCC(C)(C1=CC=CC=C1)C(=O)O)(C2=CC=CC=C2)C(=O)O

InChI

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