(3R,5R)-7-[2-(4-fluorophenyl)-3-[4-[4-[[4-[2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-yl-1-[(3R,5R)-3,5,7-tris(oxidanyl)-7-oxidanylidene-heptyl]pyrrol-3-yl]phenyl]amino]butylamino]phenyl]-4-(phenylcarbamoyl)-5-propan-2-yl-pyrrol-1-yl]-3,5-bis(oxidanyl)heptanoic acid

Systemtic Name: (3R,5R)-7-[2-(4-fluorophenyl)-3-[4-[4-[[4-[2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-yl-1-[(3R,5R)-3,5,7-tris(oxidanyl)-7-oxidanylidene-heptyl]pyrrol-3-yl]phenyl]amino]butylamino]phenyl]-4-(phenylcarbamoyl)-5-propan-2-yl-pyrrol-1-yl]-3,5-bis(oxidanyl)heptanoic acid Openeye Name: (3R,5R)-7-[2-(4-fluorophenyl)-3-[4-[4-[4-[2-(4-fluorophenyl)-5-isopropyl-4-(phenylcarbamoyl)-1-[(3R,5R)-3,5,7-trihydroxy-7-oxo-heptyl]pyrrol-3-yl]anilino]butylamino]phenyl]-5-isopropyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid CAS Name: (3R,5R)-7-[4-[anilino(oxo)methyl]-3-[4-[4-[4-[4-[anilino(oxo)methyl]-2-(4-fluorophenyl)-5-propan-2-yl-1-[(3R,5R)-3,5,7-trihydroxy-7-oxoheptyl]-3-pyrrolyl]anilino]butylamino]phenyl]-2-(4-fluorophenyl)-5-propan-2-yl-1-pyrrolyl]-3,5-dihydroxyheptanoic acid IUPAC Name: (3R,5R)-7-[2-(4-fluorophenyl)-3-[4-[4-[4-[2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-yl-1-[(3R,5R)-3,5,7-trihydroxy-7-oxoheptyl]pyrrol-3-yl]anilino]butylamino]phenyl]-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid Traditional Name: (3R,5R)-7-[2-(4-fluorophenyl)-3-[4-[4-[4-[2-(4-fluorophenyl)-5-isopropyl-4-(phenylcarbamoyl)-1-[(3R,5R)-3,5,7-trihydroxy-7-keto-heptyl]pyrrol-3-yl]anilino]butylamino]phenyl]-5-isopropyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-enanthic acid Formula: C70H78F2N6O10 MolecularWeight: 1201.399326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)NCCCCNC4=CC=C(C=C4)C5=C(N(C(=C5C(=O)NC6=CC=CC=C6)C(C)C)CCC(CC(CC(=O)O)O)O)C7=CC=C(C=C7)F)C(=O)NC8=CC=CC=C8

Isomeric SMILES

CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)NCCCCNC4=CC=C(C=C4)C5=C(N(C(=C5C(=O)NC6=CC=CC=C6)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C7=CC=C(C=C7)F)C(=O)NC8=CC=CC=C8

InChI

InChI=1S/C70H78F2N6O10/c1-43(2)65-63(69(87)75-53-13-7-5-8-14-53)61(67(47-17-25-49(71)26-18-47)77(65)37-33-55(79)39-57(81)41-59(83)84)45-21-29-51(30-22-45)73-35-11-12-36-74-52-31-23-46(24-32-52)62-64(70(88)76-54-15-9-6-10-16-54)66(44(3)4)78(68(62)48-19-27-50(72)28-20-48)38-34-56(80)40-58(82)42-60(85)86/h5-10,13-32,43-44,55-58,73-74,79-82H,11-12,33-42H2,1-4H3,(H,75,87)(H,76,88)(H,83,84)(H,85,86)/t55-,56-,57-,58-/m1/s1