hexyl 2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-3-sulfanyl-propanoate

Systemtic Name: hexyl 2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-3-sulfanyl-propanoate Openeye Name: hexyl 2-[2-(4-isobutylphenyl)propanoylamino]-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]propanoic acid hexyl ester IUPAC Name: hexyl 2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-3-sulfanylpropanoate Traditional Name: 2-[2-(4-isobutylphenyl)propanoylamino]-3-mercapto-propionic acid hexyl ester Formula: C22H35NO3S MolecularWeight: 393.5832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CS)NC(=O)C(C)C1=CC=C(C=C1)CC(C)C

Isomeric SMILES

CCCCCCOC(=O)C(CS)NC(=O)C(C)C1=CC=C(C=C1)CC(C)C

InChI

InChI=1S/C22H35NO3S/c1-5-6-7-8-13-26-22(25)20(15-27)23-21(24)17(4)19-11-9-18(10-12-19)14-16(2)3/h9-12,16-17,20,27H,5-8,13-15H2,1-4H3,(H,23,24)