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

Systemtic Name: tert-butyl N-[(2S)-1-[[(1R)-1-isocyanato-3-methyl-butyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-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-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(1R)-1-isocyanato-3-methylbutyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-[[(1R)-1-isocyanato-3-methyl-butyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)N=C=O

Isomeric SMILES

CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)N=C=O

InChI

InChI=1S/C20H29N3O4/c1-14(2)11-17(21-13-24)23-18(25)16(12-15-9-7-6-8-10-15)22-19(26)27-20(3,4)5/h6-10,14,16-17H,11-12H2,1-5H3,(H,22,26)(H,23,25)/t16-,17-/m0/s1