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

Systemtic Name: 2-methyl-5-[(4-methyl-5-oxidanyl-4-phenyl-pentyl)carbamothioylamino]-2-phenyl-pentanoic acid Openeye Name: 5-[(5-hydroxy-4-methyl-4-phenyl-pentyl)carbamothioylamino]-2-methyl-2-phenyl-pentanoic acid CAS Name: 5-[[[(5-hydroxy-4-methyl-4-phenylpentyl)amino]-sulfanylidenemethyl]amino]-2-methyl-2-phenylpentanoic acid IUPAC Name: 5-[(5-hydroxy-4-methyl-4-phenylpentyl)carbamothioylamino]-2-methyl-2-phenylpentanoic acid Traditional Name: 5-[(5-hydroxy-4-methyl-4-phenyl-pentyl)thiocarbamoylamino]-2-methyl-2-phenyl-valeric acid Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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