(phenylmethyl) 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanethioyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanethioyl]amino]ethanoate Openeye Name: benzyl 2-[[2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanethioyl]amino]acetate CAS Name: 2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-sulfanylidenebutyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanethioyl]amino]acetate Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-4-(methylthio)butanethioyl]amino]acetic acid benzyl ester Formula: C19H28N2O4S2 MolecularWeight: 412.56662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=S)NCC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC)C(=S)NCC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H28N2O4S2/c1-19(2,3)25-18(23)21-15(10-11-27-4)17(26)20-12-16(22)24-13-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3,(H,20,26)(H,21,23)