methyl (2R)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-iodanyl-phenyl]-2-[[(2R)-2-[[(2R)-2-[[2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-2-oxidanylidene-ethanoyl]amino]-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-3-yl]propanoyl]amino]-2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-bis(chloranyl)phenyl]ethanoyl]amino]ethanoate

Systemtic Name: methyl (2R)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-iodanyl-phenyl]-2-[[(2R)-2-[[(2R)-2-[[2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-2-oxidanylidene-ethanoyl]amino]-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-3-yl]propanoyl]amino]-2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-bis(chloranyl)phenyl]ethanoyl]amino]ethanoate Openeye Name: methyl (2R)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-iodo-phenyl]-2-[[(2R)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dichloro-phenyl]-2-[[(2R)-2-[[2-(3,5-dichloro-4-hydroxy-phenyl)-2-oxo-acetyl]amino]-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-3-yl]propanoyl]amino]acetyl]amino]acetate CAS Name: (2R)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-iodophenyl]-2-[[(2R)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dichlorophenyl]-2-[[(2R)-2-[[2-(3,5-dichloro-4-hydroxyphenyl)-1,2-dioxoethyl]amino]-1-oxo-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-3-yl]propyl]amino]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl (2R)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-iodophenyl]-2-[[(2R)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dichlorophenyl]-2-[[(2R)-2-[[2-(3,5-dichloro-4-hydroxyphenyl)-2-oxoacetyl]amino]-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-3-yl]propanoyl]amino]acetyl]amino]acetate Traditional Name: (2R)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-iodo-phenyl]-2-[[(2R)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dichloro-phenyl]-2-[[(2R)-2-[[2-(3,5-dichloro-4-hydroxy-phenyl)-2-keto-acetyl]amino]-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-3-yl]propanoyl]amino]acetyl]amino]acetic acid methyl ester Formula: C60H80BCl4IN4O12Si3 MolecularWeight: 1413.08077

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=CN3)CC(C(=O)NC(C4=CC(=C(C(=C4)Cl)O[Si](C)(C)C(C)(C)C)Cl)C(=O)NC(C5=CC(=C(C(=C5)I)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)OC)NC(=O)C(=O)C6=CC(=C(C(=C6)Cl)O)Cl

Isomeric SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=CN3)C[C@H](C(=O)N[C@H](C4=CC(=C(C(=C4)Cl)O[Si](C)(C)C(C)(C)C)Cl)C(=O)N[C@H](C5=CC(=C(C(=C5)I)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)OC)NC(=O)C(=O)C6=CC(=C(C(=C6)Cl)O)Cl

InChI

InChI=1S/C60H80BCl4IN4O12Si3/c1-56(2,3)83(15,16)78-45-29-33(27-42(66)51(45)80-85(19,20)58(7,8)9)47(55(76)77-14)70-53(74)46(32-23-40(64)50(41(65)24-32)79-84(17,18)57(4,5)6)69-52(73)44(68-54(75)48(71)34-25-38(62)49(72)39(63)26-34)28-35-31-67-43-30-36(21-22-37(35)43)61-81-59(10,11)60(12,13)82-61/h21-27,29-31,44,46-47,67,72H,28H2,1-20H3,(H,68,75)(H,69,73)(H,70,74)/t44-,46-,47-/m1/s1