(phenylmethyl) N-[(2S)-1-[[(1R)-1-isocyanatoethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[[(1R)-1-isocyanatoethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[[(1R)-1-isocyanatoethyl]carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[[(1R)-1-isocyanatoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[[(1R)-1-isocyanatoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1R)-1-isocyanatoethyl]carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4/c1-11(2)14(15(21)18-12(3)17-10-20)19-16(22)23-9-13-7-5-4-6-8-13/h4-8,11-12,14H,9H2,1-3H3,(H,18,21)(H,19,22)/t12-,14-/m0/s1