tert-butyl (3R)-3-[[(2S)-3-(4-cyanophenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-2,5-dimethyl-hexanoate

Systemtic Name: tert-butyl (3R)-3-[[(2S)-3-(4-cyanophenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-2,5-dimethyl-hexanoate Openeye Name: tert-butyl (3R)-3-[[(1S)-1-[(4-cyanophenyl)methyl]-2-(methylamino)-2-oxo-ethyl]carbamoyl]-2,5-dimethyl-hexanoate CAS Name: (3R)-3-[[[(2S)-3-(4-cyanophenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-oxomethyl]-2,5-dimethylhexanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[[(2S)-3-(4-cyanophenyl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,5-dimethylhexanoate Traditional Name: (3R)-3-[[(1S)-1-(4-cyanobenzyl)-2-keto-2-(methylamino)ethyl]carbamoyl]-2,5-dimethyl-hexanoic acid tert-butyl ester Formula: C24H35N3O4 MolecularWeight: 429.5524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O4/c1-15(2)12-19(16(3)23(30)31-24(4,5)6)21(28)27-20(22(29)26-7)13-17-8-10-18(14-25)11-9-17/h8-11,15-16,19-20H,12-13H2,1-7H3,(H,26,29)(H,27,28)/t16?,19-,20+/m1/s1