[(2S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methyl 6-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-hexanoate chloride

Systemtic Name: [(2S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methyl 6-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-hexanoate chloride Openeye Name: [(2S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methyl 6-[[(1S)-2-[[(1S,2R)-1-[[(1S)-1-[[(1S)-3-amino-1-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-6-oxo-hexanoate chloride CAS Name: 6-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-6-oxohexanoic acid [(2S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methyl ester chloride IUPAC Name: [(2S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methyl 6-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-6-oxohexanoate chloride Traditional Name: 6-[[(1S)-2-[[(1S,2R)-1-[[(1S)-1-[[(1S)-3-amino-1-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]carbamoyl]-3-keto-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-2-keto-1-methyl-ethyl]amino]-6-keto-hexanoic acid [(2S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methyl ester chloride Formula: C58H84ClN9O12Si MolecularWeight: 1162.87916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)CCCCC(=O)OCC2CC[N+]3=C(N2)NC(CC3)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C.[Cl-]

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)[C@H](C)NC(=O)CCCCC(=O)OC[C@@H]2CC[N+]3=C(N2)N[C@@H](CC3)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)O.[Cl-]

InChI

InChI=1S/C58H83N9O12Si.ClH/c1-37(2)32-45(53(73)63-46(34-48(59)69)54(74)65-47(56(76)77-8)33-40-20-12-9-13-21-40)64-55(75)51(39(4)68)66-52(72)38(3)60-49(70)26-18-19-27-50(71)78-35-41-28-30-67-31-29-42(62-57(67)61-41)36-79-80(58(5,6)7,43-22-14-10-15-23-43)44-24-16-11-17-25-44;/h9-17,20-25,37-39,41-42,45-47,51,68H,18-19,26-36H2,1-8H3,(H8,59,60,61,62,63,64,65,66,69,70,72,73,74,75);1H/t38-,39+,41-,42-,45-,46-,47-,51-;/m0./s1