tert-butyl (2S)-5-isothiocyanato-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: tert-butyl (2S)-5-isothiocyanato-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: tert-butyl (2S)-2-(tert-butoxycarbonylamino)-5-isothiocyanato-pentanoate CAS Name: (2S)-5-isothiocyanato-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-5-isothiocyanato-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-isothiocyanato-valeric acid tert-butyl ester Formula: C15H26N2O4S MolecularWeight: 330.44294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCN=C=S)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCCN=C=S)NC(=O)OC(C)(C)C

InChI

InChI=1S/C15H26N2O4S/c1-14(2,3)20-12(18)11(8-7-9-16-10-22)17-13(19)21-15(4,5)6/h11H,7-9H2,1-6H3,(H,17,19)/t11-/m0/s1