[gly-ser(bn)-tyr(bn)-asn-leu-ome], n-[[[[(2s,8s)-8-[[[(1,1-dimethylethyl)diphenylsilyl]oxy]methyl]-1,3,4,6,7,8-hexahydro-2h-pyrimido[1,2-a]pyrimidin-2-yl]methyl]thio]acetyl]-

Structural Information

Molecular Formula

C₇₂H₉₇N₁₀O₁₂SSi

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)OC)NC(=O)CNC(=O)CSC[C@@H]4CC[N+]5=C(N4)N[C@@H](CC5)CO[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C

InChI

InChI=1S/C72H96N10O12SSi/c1-9-49(4)65(81-63(84)41-74-64(85)47-95-46-54-35-37-82-36-34-53(75-71(82)76-54)44-94-96(72(5,6)7,56-26-18-12-19-27-56)57-28-20-13-21-29-57)69(89)80-61(45-92-42-51-22-14-10-15-23-51)68(88)77-58(39-50-30-32-55(33-31-50)93-43-52-24-16-11-17-25-52)66(86)78-59(40-62(73)83)67(87)79-60(38-48(2)3)70(90)91-8/h10-33,48-49,53-54,58-61,65H,9,34-47H2,1-8H3,(H9,73,74,75,76,77,78,79,80,81,83,84,85,86,87,88,89)/p+1/t49-,53-,54-,58-,59-,60-,61-,65-/m0/s1

InChIKey

BHHVQSAAJWPDFR-NJYDACQISA-O

Compound name

methyl (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[2-[[(2S,8S)-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]-3-methylpentanoyl]amino]-3-phenylmethoxypropanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoate

Related CIDs

• CID 3011712