tert-butyl (2R,6R)-4-[[3,4-bis(fluoranyl)phenyl]methyl]-6-[3-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]propyl]-2-(naphthalen-2-ylmethyl)-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl (2R,6R)-4-[[3,4-bis(fluoranyl)phenyl]methyl]-6-[3-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]propyl]-2-(naphthalen-2-ylmethyl)-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl (2R,6R)-6-[3-[bis(tert-butoxycarbonylamino)methyleneamino]propyl]-4-[(3,4-difluorophenyl)methyl]-2-(2-naphthylmethyl)-3-oxo-piperazine-1-carboxylate CAS Name: (2R,6R)-6-[3-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]propyl]-4-[(3,4-difluorophenyl)methyl]-2-(2-naphthalenylmethyl)-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,6R)-6-[3-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]propyl]-4-[(3,4-difluorophenyl)methyl]-2-(naphthalen-2-ylmethyl)-3-oxopiperazine-1-carboxylate Traditional Name: (2R,6R)-6-[3-[bis(tert-butoxycarbonylamino)methyleneamino]propyl]-4-(3,4-difluorobenzyl)-3-keto-2-(2-naphthylmethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C41H53F2N5O7 MolecularWeight: 765.885626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NCCCC1CN(C(=O)C(N1C(=O)OC(C)(C)C)CC2=CC3=CC=CC=C3C=C2)CC4=CC(=C(C=C4)F)F)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(=NCCC[C@@H]1CN(C(=O)[C@H](N1C(=O)OC(C)(C)C)CC2=CC3=CC=CC=C3C=C2)CC4=CC(=C(C=C4)F)F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C41H53F2N5O7/c1-39(2,3)53-36(50)45-35(46-37(51)54-40(4,5)6)44-20-12-15-30-25-47(24-27-17-19-31(42)32(43)22-27)34(49)33(48(30)38(52)55-41(7,8)9)23-26-16-18-28-13-10-11-14-29(28)21-26/h10-11,13-14,16-19,21-22,30,33H,12,15,20,23-25H2,1-9H3,(H2,44,45,46,50,51)/t30-,33-/m1/s1