(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[2-[2-[[(2S,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]ethanoylamino]propanoyl]amino]-3-phenylmethoxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid chloride

Systemtic Name: (2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[2-[2-[[(2S,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]ethanoylamino]propanoyl]amino]-3-phenylmethoxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid chloride Openeye Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-3-benzyloxy-2-[[(2S)-2-[[2-[[2-[[(2S,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]acetyl]amino]propanoyl]amino]butanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid chloride CAS Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S,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]-1-oxoethyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylmethoxybutyl]amino]-4-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-3-phenylpropanoic acid chloride IUPAC Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S,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]acetyl]amino]propanoyl]amino]-3-phenylmethoxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid chloride Traditional Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-3-benzoxy-2-[[(2S)-2-[[2-[[2-[[(2S,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]acetyl]amino]propanoyl]amino]butanoyl]amino]-4-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]-3-phenyl-propionic acid chloride Formula: C62H85ClN10O11SSi MolecularWeight: 1242.0022

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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)O)NC(=O)C(C(C)OCC2=CC=CC=C2)NC(=O)C(C)NC(=O)CNC(=O)CSCC3CC[N+]4=C(N3)NC(CC4)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)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)O)NC(=O)[C@H](C)NC(=O)CNC(=O)CSC[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)OCC6=CC=CC=C6.[Cl-]

InChI

InChI=1S/C62H84N10O11SSi.ClH/c1-40(2)32-49(57(77)68-50(34-52(63)73)58(78)70-51(60(80)81)33-43-20-12-8-13-21-43)69-59(79)55(42(4)82-36-44-22-14-9-15-23-44)71-56(76)41(3)65-53(74)35-64-54(75)39-84-38-46-29-31-72-30-28-45(66-61(72)67-46)37-83-85(62(5,6)7,47-24-16-10-17-25-47)48-26-18-11-19-27-48;/h8-27,40-42,45-46,49-51,55H,28-39H2,1-7H3,(H10,63,64,65,66,67,68,69,70,71,73,74,75,76,77,78,79,80,81);1H/t41-,42+,45+,46-,49-,50-,51-,55-;/m0./s1