tert-butyl N-[(1R,2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-cyano-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(1R,2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-cyano-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-1-benzyl-2-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-2-cyano-ethyl]carbamate CAS Name: N-[(1R,2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-cyano-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1R,2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-cyano-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-2-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-2-cyano-ethyl]carbamic acid tert-butyl ester Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(C#N)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N)N[C@@H](C#N)[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H32N4O3/c1-14(2)11-17(19(23)26)24-18(13-22)16(12-15-9-7-6-8-10-15)25-20(27)28-21(3,4)5/h6-10,14,16-18,24H,11-12H2,1-5H3,(H2,23,26)(H,25,27)/t16-,17-,18-/m0/s1