tert-butyl N-[(2S)-3-[3-(2-adamantyloxymethyl)imidazol-4-yl]-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-[3-(2-adamantyloxymethyl)imidazol-4-yl]-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[[3-(2-adamantyloxymethyl)imidazol-4-yl]methyl]-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-[3-(2-adamantyloxymethyl)-4-imidazolyl]-1-[(2S)-2-carbamoyl-1-pyrrolidinyl]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-[3-(2-adamantyloxymethyl)imidazol-4-yl]-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[3-(2-adamantyloxymethyl)imidazol-4-yl]methyl]-2-[(2S)-2-carbamoylpyrrolidino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C27H41N5O5 MolecularWeight: 515.64494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN=CN1COC2C3CC4CC(C3)CC2C4)C(=O)N5CCCC5C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1COC2C3CC4CC(C3)CC2C4)C(=O)N5CCC[C@H]5C(=O)N

InChI

InChI=1S/C27H41N5O5/c1-27(2,3)37-26(35)30-21(25(34)32-6-4-5-22(32)24(28)33)12-20-13-29-14-31(20)15-36-23-18-8-16-7-17(10-18)11-19(23)9-16/h13-14,16-19,21-23H,4-12,15H2,1-3H3,(H2,28,33)(H,30,35)/t16?,17?,18?,19?,21-,22-,23?/m0/s1