tert-butyl N-[(2S)-1-[(2S)-2-[[(E)-3-(1H-imidazol-5-yl)prop-2-enyl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3,3-diphenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(2S)-2-[[(E)-3-(1H-imidazol-5-yl)prop-2-enyl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3,3-diphenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzhydryl-2-[(2S)-2-[[(E)-3-(1H-imidazol-5-yl)allyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[(2S)-2-[[[(E)-3-(1H-imidazol-5-yl)prop-2-enyl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxo-3,3-diphenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[(2S)-2-[[(E)-3-(1H-imidazol-5-yl)prop-2-enyl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzhydryl-2-[(2S)-2-[[(E)-3-(1H-imidazol-5-yl)allyl]carbamoyl]pyrrolidino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C31H37N5O4 MolecularWeight: 543.65658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)NCC=CC4=CN=CN4

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)NC/C=C/C4=CN=CN4

InChI

InChI=1S/C31H37N5O4/c1-31(2,3)40-30(39)35-27(26(22-12-6-4-7-13-22)23-14-8-5-9-15-23)29(38)36-19-11-17-25(36)28(37)33-18-10-16-24-20-32-21-34-24/h4-10,12-16,20-21,25-27H,11,17-19H2,1-3H3,(H,32,34)(H,33,37)(H,35,39)/b16-10+/t25-,27-/m0/s1