2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pentylsulfanyl-3-phenyl-butanoic acid

Systemtic Name: 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pentylsulfanyl-3-phenyl-butanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-2-methyl-2-pentylsulfanyl-3-phenyl-butanoic acid CAS Name: 2-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(pentylthio)-3-phenylbutanoic acid IUPAC Name: 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pentylsulfanyl-3-phenylbutanoic acid Traditional Name: 2-(amylthio)-3-(tert-butoxycarbonylamino)-2-methyl-3-phenyl-butyric acid Formula: C21H33NO4S MolecularWeight: 395.55602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(C)(C(=O)O)C(C)(C1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCSC(C)(C(=O)O)C(C)(C1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H33NO4S/c1-7-8-12-15-27-21(6,17(23)24)20(5,16-13-10-9-11-14-16)22-18(25)26-19(2,3)4/h9-11,13-14H,7-8,12,15H2,1-6H3,(H,22,25)(H,23,24)