methyl (2R,3S)-2-[[(2S)-2-[[(2R)-2-[2-[[(4R)-5-methoxy-4-[[(2S,3S,4E,6E,8S,9S)-9-methoxy-2,6,8-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-10-phenyl-deca-4,6-dienoyl]amino]-5-oxidanylidene-pentanoyl]-methyl-amino]prop-2-enoylamino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-4-oxidanylidene-4-[[(2S)-1-oxidanylidene-1-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]propan-2-yl]amino]butanoate

Systemtic Name: methyl (2R,3S)-2-[[(2S)-2-[[(2R)-2-[2-[[(4R)-5-methoxy-4-[[(2S,3S,4E,6E,8S,9S)-9-methoxy-2,6,8-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-10-phenyl-deca-4,6-dienoyl]amino]-5-oxidanylidene-pentanoyl]-methyl-amino]prop-2-enoylamino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-4-oxidanylidene-4-[[(2S)-1-oxidanylidene-1-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]propan-2-yl]amino]butanoate Openeye Name: methyl (2R,3S)-2-[[(2S)-2-[[(2R)-2-[2-[[(4R)-4-[[(2S,3S,4E,6E,8S,9S)-3-(tert-butoxycarbonylamino)-9-methoxy-2,6,8-trimethyl-10-phenyl-deca-4,6-dienoyl]amino]-5-methoxy-5-oxo-pentanoyl]-methyl-amino]prop-2-enoylamino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-4-[[(1S)-1-methyl-2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethyl]amino]-4-oxo-butanoate CAS Name: (2R,3S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(4R)-5-methoxy-4-[[(2S,3S,4E,6E,8S,9S)-9-methoxy-2,6,8-trimethyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-10-phenyldeca-4,6-dienyl]amino]-1,5-dioxopentyl]-methylamino]-1-oxoprop-2-enyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-4-oxo-4-[[(2S)-1-oxo-1-(2,3,4,5,6-pentafluorophenoxy)propan-2-yl]amino]butanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[[(2S)-2-[[(2R)-2-[2-[[(4R)-5-methoxy-4-[[(2S,3S,4E,6E,8S,9S)-9-methoxy-2,6,8-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-10-phenyldeca-4,6-dienoyl]amino]-5-oxopentanoyl]-methylamino]prop-2-enoylamino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methyl-4-oxo-4-[[(2S)-1-oxo-1-(2,3,4,5,6-pentafluorophenoxy)propan-2-yl]amino]butanoate Traditional Name: (2R,3S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(4R)-4-[[(2S,3S,4E,6E,8S,9S)-3-(tert-butoxycarbonylamino)-9-methoxy-2,6,8-trimethyl-10-phenyl-deca-4,6-dienoyl]amino]-5-keto-5-methoxy-pentanoyl]-methyl-amino]acryloyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-keto-4-[[(1S)-2-keto-1-methyl-2-(2,3,4,5,6-pentafluorophenoxy)ethyl]amino]-3-methyl-butyric acid methyl ester Formula: C59H80F5N7O15 MolecularWeight: 1222.296416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C(=O)NC(C)C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)C(=O)OC)NC(=O)C(C)NC(=O)C(=C)N(C)C(=O)CCC(C(=O)OC)NC(=O)C(C)C(C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](/C=C(\C)/C=C/[C@@H]([C@H](C)C(=O)N[C@H](CCC(=O)N(C)C(=C)C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]([C@H](C)C(=O)N[C@@H](C)C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)C(=O)OC)C(=O)OC)NC(=O)OC(C)(C)C)[C@H](CC2=CC=CC=C2)OC

InChI

InChI=1S/C59H80F5N7O15/c1-29(2)26-40(54(77)70-48(57(80)84-16)33(6)51(74)66-35(8)55(78)85-49-46(63)44(61)43(60)45(62)47(49)64)68-52(75)34(7)65-53(76)36(9)71(13)42(72)25-24-39(56(79)83-15)67-50(73)32(5)38(69-58(81)86-59(10,11)12)23-22-30(3)27-31(4)41(82-14)28-37-20-18-17-19-21-37/h17-23,27,29,31-35,38-41,48H,9,24-26,28H2,1-8,10-16H3,(H,65,76)(H,66,74)(H,67,73)(H,68,75)(H,69,81)(H,70,77)/b23-22+,30-27+/t31-,32-,33-,34+,35-,38-,39+,40-,41-,48+/m0/s1