4-methyl-7-[(4-methyl-7-oxidanyl-4-phenyl-heptyl)carbamothioylamino]-4-phenyl-heptanoic acid

Systemtic Name: 4-methyl-7-[(4-methyl-7-oxidanyl-4-phenyl-heptyl)carbamothioylamino]-4-phenyl-heptanoic acid Openeye Name: 7-[(7-hydroxy-4-methyl-4-phenyl-heptyl)carbamothioylamino]-4-methyl-4-phenyl-heptanoic acid CAS Name: 7-[[[(7-hydroxy-4-methyl-4-phenylheptyl)amino]-sulfanylidenemethyl]amino]-4-methyl-4-phenylheptanoic acid IUPAC Name: 7-[(7-hydroxy-4-methyl-4-phenylheptyl)carbamothioylamino]-4-methyl-4-phenylheptanoic acid Traditional Name: 7-[(7-hydroxy-4-methyl-4-phenyl-heptyl)thiocarbamoylamino]-4-methyl-4-phenyl-enanthic acid Formula: C29H42N2O3S MolecularWeight: 498.72038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N2O3S/c1-28(19-11-23-32,24-12-5-3-6-13-24)17-9-21-30-27(35)31-22-10-18-29(2,20-16-26(33)34)25-14-7-4-8-15-25/h3-8,12-15,32H,9-11,16-23H2,1-2H3,(H,33,34)(H2,30,31,35)