ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-propanoate Openeye Name: ethyl (2R)-2-(tert-butoxycarbonylamino)-3-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-propanoate CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[[2-oxo-2-(phenethylamino)ethyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-oxo-2-(phenethylamino)ethyl]sulfanylpropanoate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-[[2-keto-2-(phenethylamino)ethyl]thio]propionic acid ethyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC(=O)NCCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H](CSCC(=O)NCCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H30N2O5S/c1-5-26-18(24)16(22-19(25)27-20(2,3)4)13-28-14-17(23)21-12-11-15-9-7-6-8-10-15/h6-10,16H,5,11-14H2,1-4H3,(H,21,23)(H,22,25)/t16-/m0/s1