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

Systemtic Name: (phenylmethyl) N-[(2S,3S)-1-[(1-cyanoazetidin-3-yl)methylamino]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S,2S)-1-[(1-cyanoazetidin-3-yl)methylcarbamoyl]-2-methyl-butyl]carbamate CAS Name: N-[(2S,3S)-1-[(1-cyano-3-azetidinyl)methylamino]-3-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3S)-1-[(1-cyanoazetidin-3-yl)methylamino]-3-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S,2S)-1-[(1-cyanoazetidin-3-yl)methylcarbamoyl]-2-methyl-butyl]carbamic acid benzyl ester Formula: C19H26N4O3 MolecularWeight: 358.43474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1CN(C1)C#N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC1CN(C1)C#N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H26N4O3/c1-3-14(2)17(18(24)21-9-16-10-23(11-16)13-20)22-19(25)26-12-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-12H2,1-2H3,(H,21,24)(H,22,25)/t14-,17-/m0/s1