(3S,5S)-7-[2-(4-fluorophenyl)-4-[[4-[[16-[[4-[[5-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-1-[(3S,5S)-3,5,7-tris(oxidanyl)-7-oxidanylidene-heptyl]pyrrol-3-yl]carbonylamino]phenyl]amino]-16-oxidanylidene-hexadecanoyl]amino]phenyl]carbamoyl]-3-phenyl-5-propan-2-yl-pyrrol-1-yl]-3,5-bis(oxidanyl)heptanoic acid

Systemtic Name: (3S,5S)-7-[2-(4-fluorophenyl)-4-[[4-[[16-[[4-[[5-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-1-[(3S,5S)-3,5,7-tris(oxidanyl)-7-oxidanylidene-heptyl]pyrrol-3-yl]carbonylamino]phenyl]amino]-16-oxidanylidene-hexadecanoyl]amino]phenyl]carbamoyl]-3-phenyl-5-propan-2-yl-pyrrol-1-yl]-3,5-bis(oxidanyl)heptanoic acid Openeye Name: (3S,5S)-7-[2-(4-fluorophenyl)-4-[[4-[[16-[4-[[5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1-[(3S,5S)-3,5,7-trihydroxy-7-oxo-heptyl]pyrrole-3-carbonyl]amino]anilino]-16-oxo-hexadecanoyl]amino]phenyl]carbamoyl]-5-isopropyl-3-phenyl-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid CAS Name: (3S,5S)-7-[2-(4-fluorophenyl)-4-[[4-[[16-[4-[[[5-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-1-[(3S,5S)-3,5,7-trihydroxy-7-oxoheptyl]-3-pyrrolyl]-oxomethyl]amino]anilino]-1,16-dioxohexadecyl]amino]anilino]-oxomethyl]-3-phenyl-5-propan-2-yl-1-pyrrolyl]-3,5-dihydroxyheptanoic acid IUPAC Name: (3S,5S)-7-[2-(4-fluorophenyl)-4-[[4-[[16-[4-[[5-(4-fluorophenyl)-4-phenyl-2-propan-2-yl-1-[(3S,5S)-3,5,7-trihydroxy-7-oxoheptyl]pyrrole-3-carbonyl]amino]anilino]-16-oxohexadecanoyl]amino]phenyl]carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid Traditional Name: (3S,5S)-7-[2-(4-fluorophenyl)-4-[[4-[[16-[4-[[5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1-[(3S,5S)-3,5,7-trihydroxy-7-keto-heptyl]pyrrole-3-carbonyl]amino]anilino]-16-keto-hexadecanoyl]amino]phenyl]carbamoyl]-5-isopropyl-3-phenyl-pyrrol-1-yl]-3,5-dihydroxy-enanthic acid Formula: C82H98F2N6O12 MolecularWeight: 1397.685326

Click to see the large picture

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=CC=C3)C(=O)NC4=CC=C(C=C4)NC(=O)CCCCCCCCCCCCCCC(=O)NC5=CC=C(C=C5)NC(=O)C6=C(N(C(=C6C7=CC=CC=C7)C8=CC=C(C=C8)F)CCC(CC(CC(=O)O)O)O)C(C)C

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=CC=C3)C(=O)NC4=CC=C(C=C4)NC(=O)CCCCCCCCCCCCCCC(=O)NC5=CC=C(C=C5)NC(=O)C6=C(N(C(=C6C7=CC=CC=C7)C8=CC=C(C=C8)F)CC[C@@H](C[C@@H](CC(=O)O)O)O)C(C)C

InChI

InChI=1S/C82H98F2N6O12/c1-53(2)77-75(73(55-23-17-15-18-24-55)79(57-29-33-59(83)34-30-57)89(77)47-45-65(91)49-67(93)51-71(97)98)81(101)87-63-41-37-61(38-42-63)85-69(95)27-21-13-11-9-7-5-6-8-10-12-14-22-28-70(96)86-62-39-43-64(44-40-62)88-82(102)76-74(56-25-19-16-20-26-56)80(58-31-35-60(84)36-32-58)90(78(76)54(3)4)48-46-66(92)50-68(94)52-72(99)100/h15-20,23-26,29-44,53-54,65-68,91-94H,5-14,21-22,27-28,45-52H2,1-4H3,(H,85,95)(H,86,96)(H,87,101)(H,88,102)(H,97,98)(H,99,100)/t65-,66-,67-,68-/m0/s1