(phenylmethyl) N-[(2S,3S)-1-[(1-cyanoazetidin-3-yl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S,3S)-1-[(1-cyanoazetidin-3-yl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S,2S)-1-[(1-cyanoazetidin-3-yl)carbamoyl]-2-methyl-butyl]carbamate CAS Name: N-[(2S,3S)-1-[(1-cyano-3-azetidinyl)amino]-3-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3S)-1-[(1-cyanoazetidin-3-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S,2S)-1-[(1-cyanoazetidin-3-yl)carbamoyl]-2-methyl-butyl]carbamic acid benzyl ester Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1CN(C1)C#N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1CN(C1)C#N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H24N4O3/c1-3-13(2)16(17(23)20-15-9-22(10-15)12-19)21-18(24)25-11-14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-11H2,1-2H3,(H,20,23)(H,21,24)/t13-,16-/m0/s1