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

Systemtic Name: (phenylmethyl) N-[(2S)-1-[[(1R)-1-isocyanato-3-methyl-butyl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-[[(1R)-1-isocyanato-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(1R)-1-isocyanato-3-methylbutyl]amino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[[(1R)-1-isocyanato-3-methylbutyl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1R)-1-isocyanato-3-methyl-butyl]amino]-2-keto-1-methyl-ethyl]carbamic acid benzyl ester Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(NC(=O)C(C)NC(=O)OCC1=CC=CC=C1)N=C=O

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)N=C=O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H23N3O4/c1-12(2)9-15(18-11-21)20-16(22)13(3)19-17(23)24-10-14-7-5-4-6-8-14/h4-8,12-13,15H,9-10H2,1-3H3,(H,19,23)(H,20,22)/t13-,15-/m0/s1