[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[5-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]quinolin-8-yl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate

C248H339Br8Cl4N21O56 — CID 159999406

IUPAC[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[5-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]quinolin-8-yl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate
SMILESCO[C@@H]1/C=C/C=C(\C)Cc2cc(C)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)Nc2ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCCCC(C)(C)OC(=O)C(CBr)CBr)C(C)C)c(C)c2)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)CC(=O)O2.CO[C@@H]1/C=C/C=C(\C)Cc2cc(C)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)Nc2ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCCCC(C)(C)OC(=O)C(CBr)CBr)C(C)C)cc2)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)CC(=O)O2.CO[C@@H]1/C=C/C=C(\C)Cc2cc(C)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)Nc2ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCCCC(C)(C)OC(=O)C(CBr)CBr)C(C)C)cc2C)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)CC(=O)O2.CO[C@@H]1/C=C/C=C(\C)Cc2cc(C)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)Nc2ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCCCC(C)OC(=O)C(CBr)CBr)C(C)C)c3ncccc23)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)CC(=O)O2
InChIInChI=1S/C63H83Br2ClN6O14.2C62H86Br2ClN5O14.C61H84Br2ClN5O14/c1-35(2)45(29-43(73)17-11-10-16-38(5)83-59(78)42(33-64)34-65)58(77)70-47(19-14-24-69-60(67)79)49(74)28-41-21-22-46(44-18-13-23-68-56(41)44)71-61(80)85-52-30-53(75)72(8)48-27-40(26-37(4)55(48)66)25-36(3)15-12-20-51(82-9)63(81)31-50(84-54(76)32-63)39(6)57-62(52,7)86-57;1-35(2)45(29-44(71)17-12-13-22-60(7,8)84-57(76)42(33-63)34-64)56(75)69-46(18-15-23-67-58(66)77)48(72)28-41-20-21-43(26-37(41)4)68-59(78)82-51-30-52(73)70(10)47-27-40(25-38(5)54(47)65)24-36(3)16-14-19-50(80-11)62(79)31-49(81-53(74)32-62)39(6)55-61(51,9)83-55;1-35(2)44(29-43(71)17-12-13-22-60(7,8)84-57(76)42(33-63)34-64)56(75)68-46(18-15-23-67-58(66)77)48(72)28-40-20-21-45(37(4)25-40)69-59(78)82-51-30-52(73)70(10)47-27-41(26-38(5)54(47)65)24-36(3)16-14-19-50(80-11)62(79)31-49(81-53(74)32-62)39(6)55-61(51,9)83-55;1-35(2)44(29-43(70)16-11-12-23-59(6,7)83-56(75)41(33-62)34-63)55(74)68-45(17-14-24-66-57(65)76)47(71)28-39-19-21-42(22-20-39)67-58(77)81-50-30-51(72)69(9)46-27-40(26-37(4)53(46)64)25-36(3)15-13-18-49(79-10)61(78)31-48(80-52(73)32-61)38(5)54-60(50,8)82-54/h12-13,15,18,20-23,26-27,35,38-39,42,45,47,50-52,57,81H,10-11,14,16-17,19,24-25,28-34H2,1-9H3,(H,70,77)(H,71,80)(H3,67,69,79);14,16,19-21,25-27,35,39,42,45-46,49-51,55,79H,12-13,15,17-18,22-24,28-34H2,1-11H3,(H,68,78)(H,69,75)(H3,66,67,77);14,16,19-21,25-27,35,39,42,44,46,49-51,55,79H,12-13,15,17-18,22-24,28-34H2,1-11H3,(H,68,75)(H,69,78)(H3,66,67,77);13,15,18-22,26-27,35,38,41,44-45,48-50,54,78H,11-12,14,16-17,23-25,28-34H2,1-10H3,(H,67,77)(H,68,74)(H3,65,66,76)/b20-12+,36-15+;2*19-14+,36-16+;18-13+,36-15+/t38?,39-,45+,47+,50+,51-,52+,57+,62+,63-;39-,45+,46+,49+,50-,51+,55+,61+,62-;39-,44+,46+,49+,50-,51+,55+,61+,62-;38-,44+,45+,48+,49-,50+,54+,60+,61-/m1111/s1
InChIKeyOHYYPRDRZZQESY-OTFWITQNSA-N
MW5291.58 g/mol
LogP38.72
Rot. Bonds96

About [(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[5-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]quinolin-8-yl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate

[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[5-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]quinolin-8-yl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate (PubChem CID 159999406) has the molecular formula C248H339Br8Cl4N21O56 and a molecular weight of 5291.58 g/mol. Its IUPAC name is [(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[5-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]quinolin-8-yl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate.

Molecular Properties

Compound Name[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[5-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]quinolin-8-yl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate
PubChem CID159999406
Molecular FormulaC248H339Br8Cl4N21O56
Molecular Weight5291.58 g/mol
Exact Mass5278.65
IUPAC Name[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[5-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]quinolin-8-yl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate
SMILESCO[C@@H]1/C=C/C=C(\C)Cc2cc(C)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)Nc2ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCCCC(C)(C)OC(=O)C(CBr)CBr)C(C)C)c(C)c2)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)CC(=O)O2.CO[C@@H]1/C=C/C=C(\C)Cc2cc(C)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)Nc2ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCCCC(C)(C)OC(=O)C(CBr)CBr)C(C)C)cc2)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)CC(=O)O2.CO[C@@H]1/C=C/C=C(\C)Cc2cc(C)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)Nc2ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCCCC(C)(C)OC(=O)C(CBr)CBr)C(C)C)cc2C)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)CC(=O)O2.CO[C@@H]1/C=C/C=C(\C)Cc2cc(C)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)Nc2ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCCCC(C)OC(=O)C(CBr)CBr)C(C)C)c3ncccc23)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)CC(=O)O2
InChIInChI=1S/C63H83Br2ClN6O14.2C62H86Br2ClN5O14.C61H84Br2ClN5O14/c1-35(2)45(29-43(73)17-11-10-16-38(5)83-59(78)42(33-64)34-65)58(77)70-47(19-14-24-69-60(67)79)49(74)28-41-21-22-46(44-18-13-23-68-56(41)44)71-61(80)85-52-30-53(75)72(8)48-27-40(26-37(4)55(48)66)25-36(3)15-12-20-51(82-9)63(81)31-50(84-54(76)32-63)39(6)57-62(52,7)86-57;1-35(2)45(29-44(71)17-12-13-22-60(7,8)84-57(76)42(33-63)34-64)56(75)69-46(18-15-23-67-58(66)77)48(72)28-41-20-21-43(26-37(41)4)68-59(78)82-51-30-52(73)70(10)47-27-40(25-38(5)54(47)65)24-36(3)16-14-19-50(80-11)62(79)31-49(81-53(74)32-62)39(6)55-61(51,9)83-55;1-35(2)44(29-43(71)17-12-13-22-60(7,8)84-57(76)42(33-63)34-64)56(75)68-46(18-15-23-67-58(66)77)48(72)28-40-20-21-45(37(4)25-40)69-59(78)82-51-30-52(73)70(10)47-27-41(26-38(5)54(47)65)24-36(3)16-14-19-50(80-11)62(79)31-49(81-53(74)32-62)39(6)55-61(51,9)83-55;1-35(2)44(29-43(70)16-11-12-23-59(6,7)83-56(75)41(33-62)34-63)55(74)68-45(17-14-24-66-57(65)76)47(71)28-39-19-21-42(22-20-39)67-58(77)81-50-30-51(72)69(9)46-27-40(26-37(4)53(46)64)25-36(3)15-13-18-49(79-10)61(78)31-48(80-52(73)32-61)38(5)54-60(50,8)82-54/h12-13,15,18,20-23,26-27,35,38-39,42,45,47,50-52,57,81H,10-11,14,16-17,19,24-25,28-34H2,1-9H3,(H,70,77)(H,71,80)(H3,67,69,79);14,16,19-21,25-27,35,39,42,45-46,49-51,55,79H,12-13,15,17-18,22-24,28-34H2,1-11H3,(H,68,78)(H,69,75)(H3,66,67,77);14,16,19-21,25-27,35,39,42,44,46,49-51,55,79H,12-13,15,17-18,22-24,28-34H2,1-11H3,(H,68,75)(H,69,78)(H3,66,67,77);13,15,18-22,26-27,35,38,41,44-45,48-50,54,78H,11-12,14,16-17,23-25,28-34H2,1-10H3,(H,67,77)(H,68,74)(H3,65,66,76)/b20-12+,36-15+;2*19-14+,36-16+;18-13+,36-15+/t38?,39-,45+,47+,50+,51-,52+,57+,62+,63-;39-,45+,46+,49+,50-,51+,55+,61+,62-;39-,44+,46+,49+,50-,51+,55+,61+,62-;38-,44+,45+,48+,49-,50+,54+,60+,61-/m1111/s1
InChIKeyOHYYPRDRZZQESY-OTFWITQNSA-N
XLogP38.72
TPSA1099.25 Ų
H-Bond Donors20
H-Bond Acceptors57
Rotatable Bonds96
Heavy Atoms337
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005291.58
LogP ≤ 538.72
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1057

Analyze [(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[5-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]quinolin-8-yl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate with MolForge

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Related Compounds

[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-(trifluoromethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate
CID 162110714
[(8S)-8-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-9-methyl-6-oxodecyl] 2-(bromomethyl)prop-2-enoate;[(8S)-8-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-9-methyl-6-oxodecyl] 2-(bromomethyl)prop-2-enoate;[(8S)-8-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-2-oxohexan-3-yl]carbamoyl]-9-methyl-6-oxodecyl] 2-(bromomethyl)prop-2-enoate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[8-[(3S)-3-[[(2S)-9-[2-(bromomethyl)prop-2-enoylamino]-4-oxo-2-propan-2-ylnonanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]quinolin-5-yl]carbamate
CID 162136780
[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[5-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]quinolin-8-yl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] cyclobutanecarboxylate
CID 159476436
[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-3-[[(2S)-13-bromo-12-(bromomethyl)-4,11-dioxo-2-propan-2-yltridecanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]-2-fluorophenyl]carbamate
CID 158700606
[(8S)-8-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-9-methyl-6-oxodecyl] 2-(bromomethyl)prop-2-enoate
CID 157189282
[(9S)-9-[[(3S)-1-[3-bromo-4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 2-ethylbutanoate
CID 158095308
[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2,5-difluorophenyl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 2-(bromomethyl)prop-2-enoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-fluorophenyl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 2-(bromomethyl)prop-2-enoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methoxyphenyl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 2-(bromomethyl)prop-2-enoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methoxyphenyl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 2-(bromomethyl)prop-2-enoate
CID 162091924
azane;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]-2-methylphenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-11-cyclobutyl-4,11-dioxo-2-propan-2-ylundecanoyl]amino]-2-oxohexyl]phenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[8-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-[2-[2-(3-oxobutoxy)ethoxy]ethylamino]-2-propan-2-yl-4-sulfanylidenebutanoyl]amino]hexyl]quinolin-5-yl]carbamate;sulfane
CID 159559824
[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[8-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylcarbamoyl]quinolin-5-yl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 2-(bromomethyl)prop-2-enoate
CID 160693950
[(8S)-8-[[(3S)-1-[2-bromo-4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-9-methyl-6-oxodecyl] 2-(bromomethyl)prop-2-enoate;[(8S)-8-[[(3S)-1-[3-bromo-4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-9-methyl-6-oxodecyl] 2-(bromomethyl)prop-2-enoate;[(8S)-8-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-9-methyl-6-oxodecyl] 2-(bromomethyl)prop-2-enoate;[(8S)-8-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-(trifluoromethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-9-methyl-6-oxodecyl] 2-(bromomethyl)prop-2-enoate
CID 158995977
[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-3-[[(2S)-12-(bromomethyl)-4,11-dioxo-2-propan-2-yltridec-12-enoyl]amino]-6-(carbamoylamino)-2-oxohexyl]-2-(trifluoromethyl)phenyl]carbamate
CID 159911806
[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-3-[[(2S)-12-(bromomethyl)-4,11-dioxo-2-propan-2-yltridec-12-enoyl]amino]-6-(carbamoylamino)-2-oxohexyl]-2-chlorophenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-3-[[(2S)-12-(bromomethyl)-4,11-dioxo-2-propan-2-yltridec-12-enoyl]amino]-6-(carbamoylamino)-2-oxohexyl]-2,5-difluorophenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-3-[[(2S)-12-(bromomethyl)-4,11-dioxo-2-propan-2-yltridec-12-enoyl]amino]-6-(carbamoylamino)-2-oxohexyl]-2-methoxyphenyl]carbamate;[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-[4-[(3S)-3-[[(2S)-12-(bromomethyl)-4,11-dioxo-2-propan-2-yltridec-12-enoyl]amino]-6-(carbamoylamino)-2-oxohexyl]-3-methoxyphenyl]carbamate
CID 157113337

Frequently Asked Questions

What is the IUPAC name of [(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[5-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]quinolin-8-yl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate?
The IUPAC name of [(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[5-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]quinolin-8-yl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate (CID 159999406) is [(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[5-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]quinolin-8-yl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate.
What is the SMILES notation for [(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[5-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]quinolin-8-yl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate?
The canonical SMILES for [(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[5-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]quinolin-8-yl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate is CO[C@@H]1/C=C/C=C(\C)Cc2cc(C)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)Nc2ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCCCC(C)(C)OC(=O)C(CBr)CBr)C(C)C)c(C)c2)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)CC(=O)O2.CO[C@@H]1/C=C/C=C(\C)Cc2cc(C)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)Nc2ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCCCC(C)(C)OC(=O)C(CBr)CBr)C(C)C)cc2)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)CC(=O)O2.CO[C@@H]1/C=C/C=C(\C)Cc2cc(C)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)Nc2ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCCCC(C)(C)OC(=O)C(CBr)CBr)C(C)C)cc2C)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)CC(=O)O2.CO[C@@H]1/C=C/C=C(\C)Cc2cc(C)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)Nc2ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCCCC(C)OC(=O)C(CBr)CBr)C(C)C)c3ncccc23)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)CC(=O)O2.
What is the InChIKey of [(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[5-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]quinolin-8-yl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate?
The InChIKey is OHYYPRDRZZQESY-OTFWITQNSA-N. The full InChI is InChI=1S/C63H83Br2ClN6O14.2C62H86Br2ClN5O14.C61H84Br2ClN5O14/c1-35(2)45(29-43(73)17-11-10-16-38(5)83-59(78)42(33-64)34-65)58(77)70-47(19-14-24-69-60(67)79)49(74)28-41-21-22-46(44-18-13-23-68-56(41)44)71-61(80)85-52-30-53(75)72(8)48-27-40(26-37(4)55(48)66)25-36(3)15-12-20-51(82-9)63(81)31-50(84-54(76)32-63)39(6)57-62(52,7)86-57;1-35(2)45(29-44(71)17-12-13-22-60(7,8)84-57(76)42(33-63)34-64)56(75)69-46(18-15-23-67-58(66)77)48(72)28-41-20-21-43(26-37(41)4)68-59(78)82-51-30-52(73)70(10)47-27-40(25-38(5)54(47)65)24-36(3)16-14-19-50(80-11)62(79)31-49(81-53(74)32-62)39(6)55-61(51,9)83-55;1-35(2)44(29-43(71)17-12-13-22-60(7,8)84-57(76)42(33-63)34-64)56(75)68-46(18-15-23-67-58(66)77)48(72)28-40-20-21-45(37(4)25-40)69-59(78)82-51-30-52(73)70(10)47-27-41(26-38(5)54(47)65)24-36(3)16-14-19-50(80-11)62(79)31-49(81-53(74)32-62)39(6)55-61(51,9)83-55;1-35(2)44(29-43(70)16-11-12-23-59(6,7)83-56(75)41(33-62)34-63)55(74)68-45(17-14-24-66-57(65)76)47(71)28-39-19-21-42(22-20-39)67-58(77)81-50-30-51(72)69(9)46-27-40(26-37(4)53(46)64)25-36(3)15-13-18-49(79-10)61(78)31-48(80-52(73)32-61)38(5)54-60(50,8)82-54/h12-13,15,18,20-23,26-27,35,38-39,42,45,47,50-52,57,81H,10-11,14,16-17,19,24-25,28-34H2,1-9H3,(H,70,77)(H,71,80)(H3,67,69,79);14,16,19-21,25-27,35,39,42,45-46,49-51,55,79H,12-13,15,17-18,22-24,28-34H2,1-11H3,(H,68,78)(H,69,75)(H3,66,67,77);14,16,19-21,25-27,35,39,42,44,46,49-51,55,79H,12-13,15,17-18,22-24,28-34H2,1-11H3,(H,68,75)(H,69,78)(H3,66,67,77);13,15,18-22,26-27,35,38,41,44-45,48-50,54,78H,11-12,14,16-17,23-25,28-34H2,1-10H3,(H,67,77)(H,68,74)(H3,65,66,76)/b20-12+,36-15+;2*19-14+,36-16+;18-13+,36-15+/t38?,39-,45+,47+,50+,51-,52+,57+,62+,63-;39-,45+,46+,49+,50-,51+,55+,61+,62-;39-,44+,46+,49+,50-,51+,55+,61+,62-;38-,44+,45+,48+,49-,50+,54+,60+,61-/m1111/s1.
What are the key properties of [(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[5-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]quinolin-8-yl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate?
[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[5-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]quinolin-8-yl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate has a molecular weight of 5291.58 g/mol, XLogP of 38.72, 96 rotatable bonds, 20 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for [(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-2-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]-3-methylphenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[4-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]phenyl]-2-oxohexan-3-yl]carbamoyl]-2,10-dimethyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate;[(9S)-9-[[(3S)-6-(carbamoylamino)-1-[5-[[(1S,2R,3S,5S,6S,16E,18E,20R,21R)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9-azatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxycarbonylamino]quinolin-8-yl]-2-oxohexan-3-yl]carbamoyl]-10-methyl-7-oxoundecan-2-yl] 3-bromo-2-(bromomethyl)propanoate is sourced from PubChem (CID 159999406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).