2-[(2S)-4-[(2E,4E,6E,8E,10Z,12E,14Z)-11,15-bis(chloranyl)-15-[(2S,3S,5R)-3-chloranyl-5-methyl-oxolan-2-yl]pentadeca-2,4,6,8,10,12,14-heptaenoyl]-1-[(2S,3R,4S,5R)-3-[(2S,3S,4R,5R)-5-[(2R,3S,4S,5S)-3-methoxy-4,5-bis(oxidanyl)oxolan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]-5-oxidanyl-3-oxidanylidene-2H-pyrrol-2-yl]ethanamide

Systemtic Name: 2-[(2S)-4-[(2E,4E,6E,8E,10Z,12E,14Z)-11,15-bis(chloranyl)-15-[(2S,3S,5R)-3-chloranyl-5-methyl-oxolan-2-yl]pentadeca-2,4,6,8,10,12,14-heptaenoyl]-1-[(2S,3R,4S,5R)-3-[(2S,3S,4R,5R)-5-[(2R,3S,4S,5S)-3-methoxy-4,5-bis(oxidanyl)oxolan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]-5-oxidanyl-3-oxidanylidene-2H-pyrrol-2-yl]ethanamide Openeye Name: 2-[(2S)-4-[(2E,4E,6E,8E,10Z,12E,14Z)-11,15-dichloro-15-[(2S,3S,5R)-3-chloro-5-methyl-tetrahydrofuran-2-yl]pentadeca-2,4,6,8,10,12,14-heptaenoyl]-1-[(2S,3R,4S,5R)-3-[(2S,3S,4R,5R)-5-[(2R,3S,4S,5S)-4,5-dihydroxy-3-methoxy-tetrahydrofuran-2-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl]-5-hydroxy-3-oxo-2H-pyrrol-2-yl]acetamide CAS Name: 2-[(2S)-4-[(2E,4E,6E,8E,10Z,12E,14Z)-11,15-dichloro-15-[(2S,3S,5R)-3-chloro-5-methyl-2-oxolanyl]-1-oxopentadeca-2,4,6,8,10,12,14-heptaenyl]-1-[(2S,3R,4S,5R)-3-[[(2S,3S,4R,5R)-5-[[(2R,3S,4S,5S)-4,5-dihydroxy-3-methoxy-2-oxolanyl]oxy]-3,4-dihydroxy-2-oxanyl]oxy]-4,5-dihydroxy-2-oxanyl]-5-hydroxy-3-oxo-2H-pyrrol-2-yl]acetamide IUPAC Name: 2-[(2S)-4-[(2E,4E,6E,8E,10Z,12E,14Z)-11,15-dichloro-15-[(2S,3S,5R)-3-chloro-5-methyloxolan-2-yl]pentadeca-2,4,6,8,10,12,14-heptaenoyl]-1-[(2S,3R,4S,5R)-3-[(2S,3S,4R,5R)-5-[(2R,3S,4S,5S)-4,5-dihydroxy-3-methoxyoxolan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]-5-hydroxy-3-oxo-2H-pyrrol-2-yl]acetamide Traditional Name: 2-[(2S)-4-[(2E,4E,6E,8E,10Z,12E,14Z)-11,15-dichloro-15-[(2S,3S,5R)-3-chloro-5-methyl-tetrahydrofuran-2-yl]pentadeca-2,4,6,8,10,12,14-heptaenoyl]-1-[(2S,3R,4S,5R)-3-[(2S,3S,4R,5R)-5-[(2R,3S,4S,5S)-4,5-dihydroxy-3-methoxy-tetrahydrofuran-2-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl]-5-hydroxy-3-keto-2-pyrrolin-2-yl]acetamide Formula: C41H51Cl3N2O17 MolecularWeight: 950.20584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(O1)C(=CC=CC(=CC=CC=CC=CC=CC(=O)C2=C(N(C(C2=O)CC(=O)N)C3C(C(C(CO3)O)O)OC4C(C(C(CO4)OC5C(C(C(O5)O)O)OC)O)O)O)Cl)Cl)Cl

Isomeric SMILES

C[C@@H]1C[C@@H]([C@H](O1)/C(=C/C=C/C(=C/C=C/C=C/C=C/C=C/C(=O)C2=C(N([C@H](C2=O)CC(=O)N)[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O[C@H]4[C@H]([C@H]([C@@H](CO4)O[C@H]5[C@H]([C@@H]([C@H](O5)O)O)OC)O)O)O)/Cl)/Cl)Cl

InChI

InChI=1S/C41H51Cl3N2O17/c1-19-15-22(44)34(60-19)21(43)13-10-12-20(42)11-8-6-4-3-5-7-9-14-24(47)28-29(50)23(16-27(45)49)46(37(28)55)38-35(30(51)25(48)17-58-38)62-40-32(53)31(52)26(18-59-40)61-41-36(57-2)33(54)39(56)63-41/h3-14,19,22-23,25-26,30-36,38-41,48,51-56H,15-18H2,1-2H3,(H2,45,49)/b4-3+,7-5+,8-6+,12-10+,14-9+,20-11-,21-13-/t19-,22+,23+,25-,26-,30+,31+,32+,33+,34-,35-,36+,38+,39+,40+,41-/m1/s1