(phenylmethyl) N-[(2S)-1-[[(1R)-1-isocyanato-2-methyl-propyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[[(1R)-1-isocyanato-2-methyl-propyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[[(1R)-1-isocyanato-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[(2S)-1-[[(1R)-1-isocyanato-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[[(1R)-1-isocyanato-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1R)-1-isocyanato-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4/c1-13(2)10-16(18(24)22-17(14(3)4)20-12-23)21-19(25)26-11-15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-11H2,1-4H3,(H,21,25)(H,22,24)/t16-,17-/m0/s1