2-methyl-4-[(3-methyl-4-oxidanyl-3-phenyl-butyl)carbamothioylamino]-2-phenyl-butanoic acid

Systemtic Name: 2-methyl-4-[(3-methyl-4-oxidanyl-3-phenyl-butyl)carbamothioylamino]-2-phenyl-butanoic acid Openeye Name: 4-[(4-hydroxy-3-methyl-3-phenyl-butyl)carbamothioylamino]-2-methyl-2-phenyl-butanoic acid CAS Name: 4-[[[(4-hydroxy-3-methyl-3-phenylbutyl)amino]-sulfanylidenemethyl]amino]-2-methyl-2-phenylbutanoic acid IUPAC Name: 4-[(4-hydroxy-3-methyl-3-phenylbutyl)carbamothioylamino]-2-methyl-2-phenylbutanoic acid Traditional Name: 4-[(4-hydroxy-3-methyl-3-phenyl-butyl)thiocarbamoylamino]-2-methyl-2-phenyl-butyric acid Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-22(17-26,18-9-5-3-6-10-18)13-15-24-21(29)25-16-14-23(2,20(27)28)19-11-7-4-8-12-19/h3-12,26H,13-17H2,1-2H3,(H,27,28)(H2,24,25,29)