methyl (2R)-2-[[(2R)-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-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]ethanoyl]amino]-2-[3-iodanyl-4,5-di(propan-2-yloxy)phenyl]ethanoate

Systemtic Name: methyl (2R)-2-[[(2R)-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-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]ethanoyl]amino]-2-[3-iodanyl-4,5-di(propan-2-yloxy)phenyl]ethanoate Openeye Name: methyl (2R)-2-[[(2R)-2-(3,5-dichloro-4-hydroxy-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]-2-(3-iodo-4,5-diisopropoxy-phenyl)acetate CAS Name: (2R)-2-[[(2R)-2-(3,5-dichloro-4-hydroxyphenyl)-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]-2-[3-iodo-4,5-di(propan-2-yloxy)phenyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-2-(3,5-dichloro-4-hydroxyphenyl)-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]-2-[3-iodo-4,5-di(propan-2-yloxy)phenyl]acetate Traditional Name: (2R)-2-[[(2R)-2-(3,5-dichloro-4-hydroxy-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]-2-(3-iodo-4,5-diisopropoxy-phenyl)acetic acid methyl ester Formula: C48H50BCl4IN4O12 MolecularWeight: 1154.45767

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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)Cl)C(=O)NC(C5=CC(=C(C(=C5)I)OC(C)C)OC(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)Cl)C(=O)N[C@H](C5=CC(=C(C(=C5)I)OC(C)C)OC(C)C)C(=O)OC)NC(=O)C(=O)C6=CC(=C(C(=C6)Cl)O)Cl

InChI

InChI=1S/C48H50BCl4IN4O12/c1-21(2)67-36-18-24(16-33(54)42(36)68-22(3)4)38(46(65)66-9)58-44(63)37(23-12-29(50)40(60)30(51)13-23)57-43(62)35(56-45(64)39(59)25-14-31(52)41(61)32(53)15-25)17-26-20-55-34-19-27(10-11-28(26)34)49-69-47(5,6)48(7,8)70-49/h10-16,18-22,35,37-38,55,60-61H,17H2,1-9H3,(H,56,64)(H,57,62)(H,58,63)/t35-,37-,38-/m1/s1