(phenylmethyl) (2S)-5-(2-ethylsulfanylethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) (2S)-5-(2-ethylsulfanylethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoate Openeye Name: benzyl (2S)-2-(tert-butoxycarbonylamino)-5-(2-ethylsulfanylethylamino)-5-oxo-pentanoate CAS Name: (2S)-5-[2-(ethylthio)ethylamino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-5-(2-ethylsulfanylethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-[2-(ethylthio)ethylamino]-5-keto-valeric acid benzyl ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC(=O)CCC(C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCSCCNC(=O)CC[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H32N2O5S/c1-5-29-14-13-22-18(24)12-11-17(23-20(26)28-21(2,3)4)19(25)27-15-16-9-7-6-8-10-16/h6-10,17H,5,11-15H2,1-4H3,(H,22,24)(H,23,26)/t17-/m0/s1