tert-butyl (4S)-5-[[(1R)-1-isocyanato-3-methyl-butyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl (4S)-5-[[(1R)-1-isocyanato-3-methyl-butyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl (4S)-4-(tert-butoxycarbonylamino)-5-[[(1R)-1-isocyanato-3-methyl-butyl]amino]-5-oxo-pentanoate CAS Name: (4S)-5-[[(1R)-1-isocyanato-3-methylbutyl]amino]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-5-[[(1R)-1-isocyanato-3-methylbutyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate Traditional Name: (4S)-4-(tert-butoxycarbonylamino)-5-[[(1R)-1-isocyanato-3-methyl-butyl]amino]-5-keto-valeric acid tert-butyl ester Formula: C20H35N3O6 MolecularWeight: 413.5084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)N=C=O

Isomeric SMILES

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)N=C=O

InChI

InChI=1S/C20H35N3O6/c1-13(2)11-15(21-12-24)23-17(26)14(22-18(27)29-20(6,7)8)9-10-16(25)28-19(3,4)5/h13-15H,9-11H2,1-8H3,(H,22,27)(H,23,26)/t14-,15-/m0/s1