tert-butyl N-[(2S)-1-[[(1R)-1-isocyanato-3-methyl-butyl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(1R)-1-isocyanato-3-methyl-butyl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(benzyloxymethyl)-2-[[(1R)-1-isocyanato-3-methyl-butyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(1R)-1-isocyanato-3-methylbutyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(1R)-1-isocyanato-3-methylbutyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(benzoxymethyl)-2-[[(1R)-1-isocyanato-3-methyl-butyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(NC(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)N=C=O

Isomeric SMILES

CC(C)C[C@H](NC(=O)[C@H](COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)N=C=O

InChI

InChI=1S/C21H31N3O5/c1-15(2)11-18(22-14-25)24-19(26)17(23-20(27)29-21(3,4)5)13-28-12-16-9-7-6-8-10-16/h6-10,15,17-18H,11-13H2,1-5H3,(H,23,27)(H,24,26)/t17-,18-/m0/s1