ditert-butyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-6-[[3-[tris[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]stannyl]phenyl]carbamoylamino]hexan-2-yl]carbamoylamino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-6-[[3-[tris[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]stannyl]phenyl]carbamoylamino]hexan-2-yl]carbamoylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[[1-tert-butoxycarbonyl-5-[[3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannyl]phenyl]carbamoylamino]pentyl]carbamoylamino]pentanedioate CAS Name: (2S)-2-[[[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-[[oxo-[3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannyl]anilino]methyl]amino]hexan-2-yl]amino]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-[[3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannyl]phenyl]carbamoylamino]hexan-2-yl]carbamoylamino]pentanedioate Traditional Name: (2S)-2-[[1-tert-butoxycarbonyl-5-[[3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannyl]phenyl]carbamoylamino]pentyl]carbamoylamino]glutaric acid ditert-butyl ester Formula: C55H61F39N4O8Sn MolecularWeight: 1765.742565

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)NC(CCCCNC(=O)NC1=CC(=CC=C1)[Sn](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)NC(CCCCNC(=O)NC1=CC(=CC=C1)[Sn](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H49N4O8.3C8H4F13.Sn/c1-29(2,3)41-24(36)19-18-23(26(38)43-31(7,8)9)35-28(40)34-22(25(37)42-30(4,5)6)17-13-14-20-32-27(39)33-21-15-11-10-12-16-21;3*1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;/h10-11,15-16,22-23H,13-14,17-20H2,1-9H3,(H2,32,33,39)(H2,34,35,40);3*1-2H2;/t22?,23-;;;;/m0..../s1