2-(tert-butyldiphenylsilyloxymethyl)-5-[n4-(1,6-dioxohexyl-trp-val-sta-glu(ochex)-phe-och3)cytosin-1'-yl]-1,3-oxathiolane

Structural Information

Molecular Formula

C₇₆H₁₀₁N₉O₁₄SSi

SMILES

CC(C)CC([C@H](CC(=O)N[C@@H](CCC(=O)OCC1CCCCC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)CCCCC(=O)NC5=NC(=O)N(C=C5)[C@H]6CS[C@H](O6)CO[Si](C7=CC=CC=C7)(C8=CC=CC=C8)C(C)(C)C

InChI

InChI=1S/C76H101N9O14SSi/c1-49(2)41-59(62(86)44-66(89)78-58(37-38-68(90)97-46-52-27-15-10-16-28-52)71(91)81-61(74(94)96-8)42-51-25-13-9-14-26-51)80-73(93)70(50(3)4)84-72(92)60(43-53-45-77-57-34-22-21-33-56(53)57)79-64(87)35-23-24-36-65(88)82-63-39-40-85(75(95)83-63)67-48-100-69(99-67)47-98-101(76(5,6)7,54-29-17-11-18-30-54)55-31-19-12-20-32-55/h9,11-14,17-22,25-26,29-34,39-40,45,49-50,52,58-62,67,69-70,77,86H,10,15-16,23-24,27-28,35-38,41-44,46-48H2,1-8H3,(H,78,89)(H,79,87)(H,80,93)(H,81,91)(H,84,92)(H,82,83,88,95)/t58-,59?,60-,61-,62-,67+,69-,70-/m0/s1

InChIKey

OGAWVKPSICFGAQ-JYPYNRRHSA-N

Compound name

cyclohexylmethyl (4S)-4-[[(3S)-4-[[(2S)-2-[[(2S)-2-[[6-[[1-[(2S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoate

Related CIDs

• CID 468830