tert-butyl (8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indole-6-carboxylate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-oxopropyl)hexanoyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate;bis((8S)-8-(chloromethyl)-1-methyl-7,8-dihydro-6H-thieno[3,2-e]indol-4-ol);[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;(4-nitrophenyl) carbonochloridate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(8S)-8-(chloromethyl)-6-(5-chloro-5-oxopentanoyl)-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]oxan-2-yl]methyl acetate

C218H243Cl10N17O56S8 — CID 161033461

IUPACtert-butyl (8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indole-6-carboxylate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-oxopropyl)hexanoyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate;bis((8S)-8-(chloromethyl)-1-methyl-7,8-dihydro-6H-thieno[3,2-e]indol-4-ol);[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;(4-nitrophenyl) carbonochloridate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(8S)-8-(chloromethyl)-6-(5-chloro-5-oxopentanoyl)-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](Oc2cc3c(c4c(C)csc24)[C@H](CCl)CN3C(=O)CCCC(=O)Cl)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(c4c(C)csc24)[C@H](CCl)CN3C(=O)CCCC(=O)N2C[C@@H](CCl)c3c2cc(O)c2scc(C)c32)[C@H](C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(c4c(C)csc24)[C@H](CCl)CN3C(=O)CCCC(=O)N2C[C@@H](CCl)c3c2cc(OC(=O)Oc2ccc([N+](=O)[O-])cc2)c2scc(C)c32)[C@H](C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.CNCCN(C)C(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)CC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(C)=O)C(C)C)cc1.Cc1csc2c(O)cc3c(c12)[C@H](CCl)CN3.Cc1csc2c(O)cc3c(c12)[C@H](CCl)CN3.Cc1csc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)OC(C)(C)C.O=C(Cl)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C49H49Cl2N3O15S2.C48H65N7O9.C42H46Cl2N2O11S2.C31H35Cl2NO12S.C17H20ClNO3S.2C12H12ClNOS.C7H4ClNO4/c1-23-21-70-46-35(67-48-25(3)44(64-27(5)56)45(65-28(6)57)37(68-48)20-63-26(4)55)14-33-42(40(23)46)29(16-50)18-52(33)38(58)8-7-9-39(59)53-19-30(17-51)43-34(53)15-36(47-41(43)24(2)22-71-47)69-49(60)66-32-12-10-31(11-13-32)54(61)62;1-31(2)43(42(57)28-35(14-12-24-51-46(49)60)44(58)53-36-21-19-33(20-22-36)29-64-48(62)55(5)26-25-50-4)54-45(59)34(27-32(3)56)13-10-11-23-52-47(61)63-30-41-39-17-8-6-15-37(39)38-16-7-9-18-40(38)41;1-19-17-58-40-29(50)10-27-36(34(19)40)25(12-43)14-45(27)32(51)8-7-9-33(52)46-15-26(13-44)37-28(46)11-30(41-35(37)20(2)18-59-41)56-42-21(3)38(54-23(5)48)39(55-24(6)49)31(57-42)16-53-22(4)47;1-14-13-47-30-21(9-20-26(25(14)30)19(10-32)11-34(20)24(40)8-6-7-23(33)39)45-31-29(44-18(5)38)28(43-17(4)37)27(42-16(3)36)22(46-31)12-41-15(2)35;1-9-8-23-15-12(20)5-11-14(13(9)15)10(6-18)7-19(11)16(21)22-17(2,3)4;2*1-6-5-16-12-9(15)2-8-11(10(6)12)7(3-13)4-14-8;8-7(10)13-6-3-1-5(2-4-6)9(11)12/h10-15,21-22,25,29-30,37,44-45,48H,7-9,16-20H2,1-6H3;6-9,15-22,31,34-35,41,43,50H,10-14,23-30H2,1-5H3,(H,52,61)(H,53,58)(H,54,59)(H3,49,51,60);10-11,17-18,21,25-26,31,38-39,42,50H,7-9,12-16H2,1-6H3;9,13,19,22,27-29,31H,6-8,10-12H2,1-5H3;5,8,10,20H,6-7H2,1-4H3;2*2,5,7,14-15H,3-4H2,1H3;1-4H/t25-,29-,30-,37-,44-,45-,48-;34-,35?,43+;21-,25-,26-,31-,38-,39-,42-;19-,22-,27+,28+,29-,31-;10-;2*7-;/m1111111./s1
InChIKeyQOVWXBIZQPHVJE-VEFAVZOUSA-N
MW4608.47 g/mol
LogP42.22
Rot. Bonds70

About tert-butyl (8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indole-6-carboxylate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-oxopropyl)hexanoyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate;bis((8S)-8-(chloromethyl)-1-methyl-7,8-dihydro-6H-thieno[3,2-e]indol-4-ol);[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;(4-nitrophenyl) carbonochloridate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(8S)-8-(chloromethyl)-6-(5-chloro-5-oxopentanoyl)-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]oxan-2-yl]methyl acetate

tert-butyl (8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indole-6-carboxylate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-oxopropyl)hexanoyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate;bis((8S)-8-(chloromethyl)-1-methyl-7,8-dihydro-6H-thieno[3,2-e]indol-4-ol);[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;(4-nitrophenyl) carbonochloridate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(8S)-8-(chloromethyl)-6-(5-chloro-5-oxopentanoyl)-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]oxan-2-yl]methyl acetate (PubChem CID 161033461) has the molecular formula C218H243Cl10N17O56S8 and a molecular weight of 4608.47 g/mol. Its IUPAC name is tert-butyl (8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indole-6-carboxylate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-oxopropyl)hexanoyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate;bis((8S)-8-(chloromethyl)-1-methyl-7,8-dihydro-6H-thieno[3,2-e]indol-4-ol);[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;(4-nitrophenyl) carbonochloridate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(8S)-8-(chloromethyl)-6-(5-chloro-5-oxopentanoyl)-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]oxan-2-yl]methyl acetate.

Molecular Properties

Compound Nametert-butyl (8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indole-6-carboxylate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-oxopropyl)hexanoyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate;bis((8S)-8-(chloromethyl)-1-methyl-7,8-dihydro-6H-thieno[3,2-e]indol-4-ol);[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;(4-nitrophenyl) carbonochloridate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(8S)-8-(chloromethyl)-6-(5-chloro-5-oxopentanoyl)-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]oxan-2-yl]methyl acetate
PubChem CID161033461
Molecular FormulaC218H243Cl10N17O56S8
Molecular Weight4608.47 g/mol
Exact Mass4600.13
IUPAC Nametert-butyl (8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indole-6-carboxylate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-oxopropyl)hexanoyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate;bis((8S)-8-(chloromethyl)-1-methyl-7,8-dihydro-6H-thieno[3,2-e]indol-4-ol);[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;(4-nitrophenyl) carbonochloridate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(8S)-8-(chloromethyl)-6-(5-chloro-5-oxopentanoyl)-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](Oc2cc3c(c4c(C)csc24)[C@H](CCl)CN3C(=O)CCCC(=O)Cl)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(c4c(C)csc24)[C@H](CCl)CN3C(=O)CCCC(=O)N2C[C@@H](CCl)c3c2cc(O)c2scc(C)c32)[C@H](C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(c4c(C)csc24)[C@H](CCl)CN3C(=O)CCCC(=O)N2C[C@@H](CCl)c3c2cc(OC(=O)Oc2ccc([N+](=O)[O-])cc2)c2scc(C)c32)[C@H](C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.CNCCN(C)C(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)CC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(C)=O)C(C)C)cc1.Cc1csc2c(O)cc3c(c12)[C@H](CCl)CN3.Cc1csc2c(O)cc3c(c12)[C@H](CCl)CN3.Cc1csc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)OC(C)(C)C.O=C(Cl)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C49H49Cl2N3O15S2.C48H65N7O9.C42H46Cl2N2O11S2.C31H35Cl2NO12S.C17H20ClNO3S.2C12H12ClNOS.C7H4ClNO4/c1-23-21-70-46-35(67-48-25(3)44(64-27(5)56)45(65-28(6)57)37(68-48)20-63-26(4)55)14-33-42(40(23)46)29(16-50)18-52(33)38(58)8-7-9-39(59)53-19-30(17-51)43-34(53)15-36(47-41(43)24(2)22-71-47)69-49(60)66-32-12-10-31(11-13-32)54(61)62;1-31(2)43(42(57)28-35(14-12-24-51-46(49)60)44(58)53-36-21-19-33(20-22-36)29-64-48(62)55(5)26-25-50-4)54-45(59)34(27-32(3)56)13-10-11-23-52-47(61)63-30-41-39-17-8-6-15-37(39)38-16-7-9-18-40(38)41;1-19-17-58-40-29(50)10-27-36(34(19)40)25(12-43)14-45(27)32(51)8-7-9-33(52)46-15-26(13-44)37-28(46)11-30(41-35(37)20(2)18-59-41)56-42-21(3)38(54-23(5)48)39(55-24(6)49)31(57-42)16-53-22(4)47;1-14-13-47-30-21(9-20-26(25(14)30)19(10-32)11-34(20)24(40)8-6-7-23(33)39)45-31-29(44-18(5)38)28(43-17(4)37)27(42-16(3)36)22(46-31)12-41-15(2)35;1-9-8-23-15-12(20)5-11-14(13(9)15)10(6-18)7-19(11)16(21)22-17(2,3)4;2*1-6-5-16-12-9(15)2-8-11(10(6)12)7(3-13)4-14-8;8-7(10)13-6-3-1-5(2-4-6)9(11)12/h10-15,21-22,25,29-30,37,44-45,48H,7-9,16-20H2,1-6H3;6-9,15-22,31,34-35,41,43,50H,10-14,23-30H2,1-5H3,(H,52,61)(H,53,58)(H,54,59)(H3,49,51,60);10-11,17-18,21,25-26,31,38-39,42,50H,7-9,12-16H2,1-6H3;9,13,19,22,27-29,31H,6-8,10-12H2,1-5H3;5,8,10,20H,6-7H2,1-4H3;2*2,5,7,14-15H,3-4H2,1H3;1-4H/t25-,29-,30-,37-,44-,45-,48-;34-,35?,43+;21-,25-,26-,31-,38-,39-,42-;19-,22-,27+,28+,29-,31-;10-;2*7-;/m1111111./s1
InChIKeyQOVWXBIZQPHVJE-VEFAVZOUSA-N
XLogP42.22
TPSA946.99 Ų
H-Bond Donors12
H-Bond Acceptors67
Rotatable Bonds70
Heavy Atoms309
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004608.47
LogP ≤ 542.22
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1067

Analyze tert-butyl (8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indole-6-carboxylate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-oxopropyl)hexanoyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate;bis((8S)-8-(chloromethyl)-1-methyl-7,8-dihydro-6H-thieno[3,2-e]indol-4-ol);[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;(4-nitrophenyl) carbonochloridate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(8S)-8-(chloromethyl)-6-(5-chloro-5-oxopentanoyl)-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]oxan-2-yl]methyl acetate with MolForge

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Launch Full Analysis

Related Compounds

[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl] N-[2-[[4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate
CID 122550591
[4-[[(2S,5S)-2-[3-(carbamoylamino)propyl]-5-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
CID 160954158
4-O-tert-butyl 1-O-[(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] piperazine-1,4-dicarboxylate;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-propan-2-ylpentanoyl]amino]-2-oxohexyl]phenyl]methyl (4-nitrophenyl) carbonate;[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone;9H-fluoren-9-ylmethyl N-[(4S)-4-[[(3S)-6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]carbamoyl]-5-methylhexyl]carbamate
CID 159421075
[(8R)-8-(chloromethyl)-1-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carbonyl]-7,8-dihydrothieno[3,2-e]indol-4-yl] N-[2-[[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate
CID 147238256
[(8S)-8-(chloromethyl)-6-[3-[(8S)-8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]bicyclo[1.1.1]pentane-1-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl] N-[2-[[4-[[(2R,5S)-5-[[(2R)-6-amino-2-(2-oxopropyl)hexanoyl]amino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate
CID 148976300
[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-phosphonooxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]tricyclo[3.1.0.01,3]hexane-3-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl] N-[2-[[4-[[(2R,5S)-5-[[(2R)-6-amino-2-(2-oxopropyl)hexanoyl]amino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate
CID 158395823
tert-butyl 8-(chloromethyl)-4-hydroxy-2-methyl-7,8-dihydropyrrolo[3,2-e][1,3]benzoxazole-6-carboxylate;tert-butyl 8-(chloromethyl)-2-methyl-4-(4-methylpiperazine-1-carbonyl)oxy-7,8-dihydropyrrolo[3,2-e][1,3]benzoxazole-6-carboxylate;[6-[5-[2-[[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxycarbonylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethoxy]-1H-indole-2-carbonyl]-8-(chloromethyl)-2-methyl-7,8-dihydropyrrolo[3,2-e][1,3]benzoxazol-4-yl] 4-methylpiperazine-1-carboxylate;[8-(chloromethyl)-2-methyl-6-[5-[2-(methylamino)ethoxy]-1H-indole-2-carbonyl]-7,8-dihydropyrrolo[3,2-e][1,3]benzoxazol-4-yl] 4-methylpiperazine-1-carboxylate
CID 165030214
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethylcarbamoyl]-4-[(4-nitrophenoxy)carbonyloxymethyl]phenoxy]oxan-2-yl]methyl acetate
CID 168986468
[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl] (4-nitrophenyl) carbonate
CID 154632693
bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-(3-chloro-3-oxopropyl)carbamate;(5-formyl-2-hydroxyphenyl)-oxidoazanium;[5-formyl-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[5-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-amino-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;trihydrate
CID 159988286
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(1S)-1-(chloromethyl)-3-[5-[[1-methyl-5-[[4-[[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]amino]phenyl]carbamoyl]pyrrol-3-yl]amino]-5-oxopentanoyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]oxan-2-yl]methyl acetate
CID 171802170
tert-butyl (4S)-5-[[2-[[(2S)-5-(carbamoylamino)-1-[4-[(4-nitrophenoxy)carbonyloxymethyl]anilino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]-5-oxopentanoate
CID 178189842

Frequently Asked Questions

What is the IUPAC name of tert-butyl (8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indole-6-carboxylate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-oxopropyl)hexanoyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate;bis((8S)-8-(chloromethyl)-1-methyl-7,8-dihydro-6H-thieno[3,2-e]indol-4-ol);[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;(4-nitrophenyl) carbonochloridate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(8S)-8-(chloromethyl)-6-(5-chloro-5-oxopentanoyl)-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]oxan-2-yl]methyl acetate?
The IUPAC name of tert-butyl (8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indole-6-carboxylate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-oxopropyl)hexanoyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate;bis((8S)-8-(chloromethyl)-1-methyl-7,8-dihydro-6H-thieno[3,2-e]indol-4-ol);[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;(4-nitrophenyl) carbonochloridate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(8S)-8-(chloromethyl)-6-(5-chloro-5-oxopentanoyl)-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]oxan-2-yl]methyl acetate (CID 161033461) is tert-butyl (8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indole-6-carboxylate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-oxopropyl)hexanoyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate;bis((8S)-8-(chloromethyl)-1-methyl-7,8-dihydro-6H-thieno[3,2-e]indol-4-ol);[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;(4-nitrophenyl) carbonochloridate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(8S)-8-(chloromethyl)-6-(5-chloro-5-oxopentanoyl)-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]oxan-2-yl]methyl acetate.
What is the SMILES notation for tert-butyl (8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indole-6-carboxylate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-oxopropyl)hexanoyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate;bis((8S)-8-(chloromethyl)-1-methyl-7,8-dihydro-6H-thieno[3,2-e]indol-4-ol);[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;(4-nitrophenyl) carbonochloridate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(8S)-8-(chloromethyl)-6-(5-chloro-5-oxopentanoyl)-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]oxan-2-yl]methyl acetate?
The canonical SMILES for tert-butyl (8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indole-6-carboxylate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-oxopropyl)hexanoyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate;bis((8S)-8-(chloromethyl)-1-methyl-7,8-dihydro-6H-thieno[3,2-e]indol-4-ol);[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;(4-nitrophenyl) carbonochloridate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(8S)-8-(chloromethyl)-6-(5-chloro-5-oxopentanoyl)-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]oxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(c4c(C)csc24)[C@H](CCl)CN3C(=O)CCCC(=O)Cl)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(c4c(C)csc24)[C@H](CCl)CN3C(=O)CCCC(=O)N2C[C@@H](CCl)c3c2cc(O)c2scc(C)c32)[C@H](C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(c4c(C)csc24)[C@H](CCl)CN3C(=O)CCCC(=O)N2C[C@@H](CCl)c3c2cc(OC(=O)Oc2ccc([N+](=O)[O-])cc2)c2scc(C)c32)[C@H](C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.CNCCN(C)C(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)CC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(C)=O)C(C)C)cc1.Cc1csc2c(O)cc3c(c12)[C@H](CCl)CN3.Cc1csc2c(O)cc3c(c12)[C@H](CCl)CN3.Cc1csc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)OC(C)(C)C.O=C(Cl)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of tert-butyl (8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indole-6-carboxylate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-oxopropyl)hexanoyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate;bis((8S)-8-(chloromethyl)-1-methyl-7,8-dihydro-6H-thieno[3,2-e]indol-4-ol);[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;(4-nitrophenyl) carbonochloridate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(8S)-8-(chloromethyl)-6-(5-chloro-5-oxopentanoyl)-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]oxan-2-yl]methyl acetate?
The InChIKey is QOVWXBIZQPHVJE-VEFAVZOUSA-N. The full InChI is InChI=1S/C49H49Cl2N3O15S2.C48H65N7O9.C42H46Cl2N2O11S2.C31H35Cl2NO12S.C17H20ClNO3S.2C12H12ClNOS.C7H4ClNO4/c1-23-21-70-46-35(67-48-25(3)44(64-27(5)56)45(65-28(6)57)37(68-48)20-63-26(4)55)14-33-42(40(23)46)29(16-50)18-52(33)38(58)8-7-9-39(59)53-19-30(17-51)43-34(53)15-36(47-41(43)24(2)22-71-47)69-49(60)66-32-12-10-31(11-13-32)54(61)62;1-31(2)43(42(57)28-35(14-12-24-51-46(49)60)44(58)53-36-21-19-33(20-22-36)29-64-48(62)55(5)26-25-50-4)54-45(59)34(27-32(3)56)13-10-11-23-52-47(61)63-30-41-39-17-8-6-15-37(39)38-16-7-9-18-40(38)41;1-19-17-58-40-29(50)10-27-36(34(19)40)25(12-43)14-45(27)32(51)8-7-9-33(52)46-15-26(13-44)37-28(46)11-30(41-35(37)20(2)18-59-41)56-42-21(3)38(54-23(5)48)39(55-24(6)49)31(57-42)16-53-22(4)47;1-14-13-47-30-21(9-20-26(25(14)30)19(10-32)11-34(20)24(40)8-6-7-23(33)39)45-31-29(44-18(5)38)28(43-17(4)37)27(42-16(3)36)22(46-31)12-41-15(2)35;1-9-8-23-15-12(20)5-11-14(13(9)15)10(6-18)7-19(11)16(21)22-17(2,3)4;2*1-6-5-16-12-9(15)2-8-11(10(6)12)7(3-13)4-14-8;8-7(10)13-6-3-1-5(2-4-6)9(11)12/h10-15,21-22,25,29-30,37,44-45,48H,7-9,16-20H2,1-6H3;6-9,15-22,31,34-35,41,43,50H,10-14,23-30H2,1-5H3,(H,52,61)(H,53,58)(H,54,59)(H3,49,51,60);10-11,17-18,21,25-26,31,38-39,42,50H,7-9,12-16H2,1-6H3;9,13,19,22,27-29,31H,6-8,10-12H2,1-5H3;5,8,10,20H,6-7H2,1-4H3;2*2,5,7,14-15H,3-4H2,1H3;1-4H/t25-,29-,30-,37-,44-,45-,48-;34-,35?,43+;21-,25-,26-,31-,38-,39-,42-;19-,22-,27+,28+,29-,31-;10-;2*7-;/m1111111./s1.
What are the key properties of tert-butyl (8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indole-6-carboxylate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-oxopropyl)hexanoyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate;bis((8S)-8-(chloromethyl)-1-methyl-7,8-dihydro-6H-thieno[3,2-e]indol-4-ol);[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;(4-nitrophenyl) carbonochloridate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(8S)-8-(chloromethyl)-6-(5-chloro-5-oxopentanoyl)-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]oxan-2-yl]methyl acetate?
tert-butyl (8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indole-6-carboxylate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-oxopropyl)hexanoyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate;bis((8S)-8-(chloromethyl)-1-methyl-7,8-dihydro-6H-thieno[3,2-e]indol-4-ol);[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;(4-nitrophenyl) carbonochloridate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(8S)-8-(chloromethyl)-6-(5-chloro-5-oxopentanoyl)-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]oxan-2-yl]methyl acetate has a molecular weight of 4608.47 g/mol, XLogP of 42.22, 70 rotatable bonds, 12 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indole-6-carboxylate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-oxopropyl)hexanoyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate;bis((8S)-8-(chloromethyl)-1-methyl-7,8-dihydro-6H-thieno[3,2-e]indol-4-ol);[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;(4-nitrophenyl) carbonochloridate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(8S)-8-(chloromethyl)-6-(5-chloro-5-oxopentanoyl)-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]oxan-2-yl]methyl acetate is sourced from PubChem (CID 161033461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).