(2S,3S)-2-[2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-2-yl]methylsulfanyl]ethanoylamino]-3-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxidanylidene-1-(propylamino)butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]pentanamide

Systemtic Name: (2S,3S)-2-[2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-2-yl]methylsulfanyl]ethanoylamino]-3-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxidanylidene-1-(propylamino)butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]pentanamide Openeye Name: (2S,3S)-2-[[2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-2-yl]methylsulfanyl]acetyl]amino]-3-methyl-N-[(1S)-2-methyl-1-[[(1S)-2-methyl-1-(propylcarbamoyl)propyl]carbamoyl]propyl]pentanamide CAS Name: (2S,3S)-2-[[2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-2-yl]methylthio]-1-oxoethyl]amino]-3-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]amino]-1-oxobutan-2-yl]pentanamide IUPAC Name: (2S,3S)-2-[[2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-2-yl]methylsulfanyl]acetyl]amino]-3-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]amino]-1-oxobutan-2-yl]pentanamide Traditional Name: (2S,3S)-2-[[2-[[(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-2-yl]methylthio]acetyl]amino]-3-methyl-N-[(1S)-2-methyl-1-[[(1S)-2-methyl-1-(propylcarbamoyl)propyl]carbamoyl]propyl]valeramide Formula: C46H74N7O5SSi+ MolecularWeight: 865.27416

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)CSCC1CC[N+]2=C(N1)NC(CC2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CCCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CSC[C@H]1CC[N+]2=C(N1)N[C@H](CC2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C46H73N7O5SSi/c1-11-25-47-42(55)39(31(3)4)51-43(56)40(32(5)6)52-44(57)41(33(7)12-2)50-38(54)30-59-29-35-24-27-53-26-23-34(48-45(53)49-35)28-58-60(46(8,9)10,36-19-15-13-16-20-36)37-21-17-14-18-22-37/h13-22,31-35,39-41H,11-12,23-30H2,1-10H3,(H5,47,48,49,50,51,52,54,55,56,57)/p+1/t33-,34+,35+,39-,40-,41-/m0/s1