4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;bis(sulfur trioxide)

C186H206N22O40S16 — CID 157202544

IUPAC4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;bis(sulfur trioxide)
SMILESCCC(=O)C(CCSSC(C)(C)CNC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4c6ccccc6C[C@H]4C=N5)cn3C)ccc2s1)S(=O)(=O)O.CCC(=O)C(CCSSC(C)(C)CNC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4c6ccccc6C[C@H]4CC5)cn3C)ccc2s1)S(=O)(=O)O.CCC(=O)CCCSSC(C)(C)CNC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4c6ccccc6C[C@H]4C=N5)cn3C)ccc2s1.CCC(=O)CCCSSC(C)(C)CNC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4c6ccccc6C[C@H]4CC5)cn3C)ccc2s1.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C47H53N5O10S4.C47H53N5O7S3.C46H50N6O10S4.C46H50N6O7S3.2O3S/c1-6-37(53)42(66(58,59)60)17-19-63-65-47(2,3)27-48-45(56)41-23-30-20-31(14-16-40(30)64-41)50-44(55)36-24-32(26-51(36)4)49-43(54)12-9-18-62-39-22-28-13-15-33-21-29-10-7-8-11-35(29)52(33)46(57)34(28)25-38(39)61-5;1-6-35(53)12-10-20-60-62-47(2,3)28-48-45(56)42-24-31-21-32(16-18-41(31)61-42)50-44(55)38-25-33(27-51(38)4)49-43(54)14-9-19-59-40-23-29-15-17-34-22-30-11-7-8-13-37(30)52(34)46(57)36(29)26-39(40)58-5;1-6-36(53)41(66(58,59)60)15-17-63-65-46(2,3)26-48-44(56)40-20-28-18-29(13-14-39(28)64-40)50-43(55)35-21-30(25-51(35)4)49-42(54)12-9-16-62-38-23-33-32(22-37(38)61-5)45(57)52-31(24-47-33)19-27-10-7-8-11-34(27)52;1-6-33(53)12-10-18-60-62-46(2,3)27-48-44(56)41-21-29-19-30(15-16-40(29)61-41)50-43(55)37-22-31(26-51(37)4)49-42(54)14-9-17-59-39-24-35-34(23-38(39)58-5)45(57)52-32(25-47-35)20-28-11-7-8-13-36(28)52;2*1-4(2)3/h7-8,10-11,14,16,20,22-26,33,42H,6,9,12-13,15,17-19,21,27H2,1-5H3,(H,48,56)(H,49,54)(H,50,55)(H,58,59,60);7-8,11,13,16,18,21,23-27,34H,6,9-10,12,14-15,17,19-20,22,28H2,1-5H3,(H,48,56)(H,49,54)(H,50,55);7-8,10-11,13-14,18,20-25,31,41H,6,9,12,15-17,19,26H2,1-5H3,(H,48,56)(H,49,54)(H,50,55)(H,58,59,60);7-8,11,13,15-16,19,21-26,32H,6,9-10,12,14,17-18,20,27H2,1-5H3,(H,48,56)(H,49,54)(H,50,55);;/t33-,42?;34-;31-,41?;32-;;/m1100../s1
InChIKeyAQYSNOCCQZERKO-UDZZYTBESA-N
MW3902.88 g/mol
LogP33.12
Rot. Bonds78

About 4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;bis(sulfur trioxide)

4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;bis(sulfur trioxide) (PubChem CID 157202544) has the molecular formula C186H206N22O40S16 and a molecular weight of 3902.88 g/mol. Its IUPAC name is 4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;bis(sulfur trioxide).

Molecular Properties

Compound Name4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;bis(sulfur trioxide)
PubChem CID157202544
Molecular FormulaC186H206N22O40S16
Molecular Weight3902.88 g/mol
Exact Mass3899.03
IUPAC Name4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;bis(sulfur trioxide)
SMILESCCC(=O)C(CCSSC(C)(C)CNC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4c6ccccc6C[C@H]4C=N5)cn3C)ccc2s1)S(=O)(=O)O.CCC(=O)C(CCSSC(C)(C)CNC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4c6ccccc6C[C@H]4CC5)cn3C)ccc2s1)S(=O)(=O)O.CCC(=O)CCCSSC(C)(C)CNC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4c6ccccc6C[C@H]4C=N5)cn3C)ccc2s1.CCC(=O)CCCSSC(C)(C)CNC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4c6ccccc6C[C@H]4CC5)cn3C)ccc2s1.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C47H53N5O10S4.C47H53N5O7S3.C46H50N6O10S4.C46H50N6O7S3.2O3S/c1-6-37(53)42(66(58,59)60)17-19-63-65-47(2,3)27-48-45(56)41-23-30-20-31(14-16-40(30)64-41)50-44(55)36-24-32(26-51(36)4)49-43(54)12-9-18-62-39-22-28-13-15-33-21-29-10-7-8-11-35(29)52(33)46(57)34(28)25-38(39)61-5;1-6-35(53)12-10-20-60-62-47(2,3)28-48-45(56)42-24-31-21-32(16-18-41(31)61-42)50-44(55)38-25-33(27-51(38)4)49-43(54)14-9-19-59-40-23-29-15-17-34-22-30-11-7-8-13-37(30)52(34)46(57)36(29)26-39(40)58-5;1-6-36(53)41(66(58,59)60)15-17-63-65-46(2,3)26-48-44(56)40-20-28-18-29(13-14-39(28)64-40)50-43(55)35-21-30(25-51(35)4)49-42(54)12-9-16-62-38-23-33-32(22-37(38)61-5)45(57)52-31(24-47-33)19-27-10-7-8-11-34(27)52;1-6-33(53)12-10-18-60-62-46(2,3)27-48-44(56)41-21-29-19-30(15-16-40(29)61-41)50-43(55)37-22-31(26-51(37)4)49-42(54)14-9-17-59-39-24-35-34(23-38(39)58-5)45(57)52-32(25-47-35)20-28-11-7-8-13-36(28)52;2*1-4(2)3/h7-8,10-11,14,16,20,22-26,33,42H,6,9,12-13,15,17-19,21,27H2,1-5H3,(H,48,56)(H,49,54)(H,50,55)(H,58,59,60);7-8,11,13,16,18,21,23-27,34H,6,9-10,12,14-15,17,19-20,22,28H2,1-5H3,(H,48,56)(H,49,54)(H,50,55);7-8,10-11,13-14,18,20-25,31,41H,6,9,12,15-17,19,26H2,1-5H3,(H,48,56)(H,49,54)(H,50,55)(H,58,59,60);7-8,11,13,15-16,19,21-26,32H,6,9-10,12,14,17-18,20,27H2,1-5H3,(H,48,56)(H,49,54)(H,50,55);;/t33-,42?;34-;31-,41?;32-;;/m1100../s1
InChIKeyAQYSNOCCQZERKO-UDZZYTBESA-N
XLogP33.12
TPSA828.16 Ų
H-Bond Donors14
H-Bond Acceptors56
Rotatable Bonds78
Heavy Atoms264
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003902.88
LogP ≤ 533.12
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;bis(sulfur trioxide) with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-(5-methyl-2-oxo-5-sulfanylhexyl)-1-benzothiophen-5-yl]pyrrole-2-carboxamide;4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-(5-methyl-2-oxo-5-sulfanylhexyl)-1-benzothiophen-5-yl]pyrrole-2-carboxamide;oxo(disulfonyl)-λ6-sulfane;sodiosodium;sulfur trioxide
CID 159637630
4-[[5-[[(12aS)-2-heptan-2-yl-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]-2-oxopentyl]amino]-N-[2-[[2-[(4-amino-4-oxobutyl)disulfanyl]-2-methylpropyl]carbamoyl]-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide
CID 142617171
(12aS)-9-[[3-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-8-methoxy-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one;1-[[1-[3-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;4-[[1-[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-N-methylbutanamide;1-[[1-[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;bis(yttrium)
CID 162128377
(12aS)-9-[[3-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-8-methoxy-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one;(12aS)-9-[[3-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[2-methyl-2-(4-oxohexyldisulfanyl)propyl]amino]phenyl]methoxy]-8-methoxy-11,12,12a,13-tetrahydroindolo[2,1-c][1,4]benzodiazepin-12-id-6-one;1-[[1-[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;bis(yttrium)
CID 158944597
methyl 5-[[4-[4-[[(12aS)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carboxylate
CID 142617252
1-[[1-[3-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;1-[[1-[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;yttrium
CID 160572886
4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-N-[2-[[3-[3-(ethylideneamino)oxypropylamino]-3-oxopropyl]carbamoyl]-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide
CID 162288451
N-[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[(12aS)-8-methyl-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxymethyl]phenyl]-4-[[9-(ethylamino)-4-oxononyl]disulfanyl]-4-methylpentanamide;N-[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[(12aS)-8-methyl-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxymethyl]phenyl]-4-[[9-(ethylideneamino)-4-oxononyl]disulfanyl]-4-methylpentanamide;5-[[5-[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]anilino]-2-methyl-5-oxopentan-2-yl]disulfanyl]-1-(ethylamino)-2-oxopentane-3-sulfonic acid;5-[[5-[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]anilino]-2-methyl-5-oxopentan-2-yl]disulfanyl]-1-(ethylideneamino)-2-oxopentane-3-sulfonic acid;bis(yttrium)
CID 158810086
4-[[1-[3-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-1-oxobutane-2-sulfonic acid;4-[[1-[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]anilino]-2-methylpropan-2-yl]disulfanyl]-1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-1-oxobutane-2-sulfonic acid;sulfur trioxide
CID 159391058
4-[[4-[4-[(8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl)oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carboxamide
CID 122502747
1-[[5-[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[(12aS)-12-methoxysulfonyl-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]anilino]-2-methyl-5-oxopentan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;methane;methyl (12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[4-methyl-4-(5-oxoheptan-2-yldisulfanyl)pentanoyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonate;methyl (12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[4-methyl-4-(4-oxohexyldisulfanyl)pentanoyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonate
CID 159602541
4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-N-[5-[[5-[5-(tert-butylamino)indole-1-carbonyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide
CID 170261739

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;bis(sulfur trioxide)?
The IUPAC name of 4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;bis(sulfur trioxide) (CID 157202544) is 4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;bis(sulfur trioxide).
What is the SMILES notation for 4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;bis(sulfur trioxide)?
The canonical SMILES for 4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;bis(sulfur trioxide) is CCC(=O)C(CCSSC(C)(C)CNC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4c6ccccc6C[C@H]4C=N5)cn3C)ccc2s1)S(=O)(=O)O.CCC(=O)C(CCSSC(C)(C)CNC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4c6ccccc6C[C@H]4CC5)cn3C)ccc2s1)S(=O)(=O)O.CCC(=O)CCCSSC(C)(C)CNC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4c6ccccc6C[C@H]4C=N5)cn3C)ccc2s1.CCC(=O)CCCSSC(C)(C)CNC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4c6ccccc6C[C@H]4CC5)cn3C)ccc2s1.O=S(=O)=O.O=S(=O)=O.
What is the InChIKey of 4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;bis(sulfur trioxide)?
The InChIKey is AQYSNOCCQZERKO-UDZZYTBESA-N. The full InChI is InChI=1S/C47H53N5O10S4.C47H53N5O7S3.C46H50N6O10S4.C46H50N6O7S3.2O3S/c1-6-37(53)42(66(58,59)60)17-19-63-65-47(2,3)27-48-45(56)41-23-30-20-31(14-16-40(30)64-41)50-44(55)36-24-32(26-51(36)4)49-43(54)12-9-18-62-39-22-28-13-15-33-21-29-10-7-8-11-35(29)52(33)46(57)34(28)25-38(39)61-5;1-6-35(53)12-10-20-60-62-47(2,3)28-48-45(56)42-24-31-21-32(16-18-41(31)61-42)50-44(55)38-25-33(27-51(38)4)49-43(54)14-9-19-59-40-23-29-15-17-34-22-30-11-7-8-13-37(30)52(34)46(57)36(29)26-39(40)58-5;1-6-36(53)41(66(58,59)60)15-17-63-65-46(2,3)26-48-44(56)40-20-28-18-29(13-14-39(28)64-40)50-43(55)35-21-30(25-51(35)4)49-42(54)12-9-16-62-38-23-33-32(22-37(38)61-5)45(57)52-31(24-47-33)19-27-10-7-8-11-34(27)52;1-6-33(53)12-10-18-60-62-46(2,3)27-48-44(56)41-21-29-19-30(15-16-40(29)61-41)50-43(55)37-22-31(26-51(37)4)49-42(54)14-9-17-59-39-24-35-34(23-38(39)58-5)45(57)52-32(25-47-35)20-28-11-7-8-13-36(28)52;2*1-4(2)3/h7-8,10-11,14,16,20,22-26,33,42H,6,9,12-13,15,17-19,21,27H2,1-5H3,(H,48,56)(H,49,54)(H,50,55)(H,58,59,60);7-8,11,13,16,18,21,23-27,34H,6,9-10,12,14-15,17,19-20,22,28H2,1-5H3,(H,48,56)(H,49,54)(H,50,55);7-8,10-11,13-14,18,20-25,31,41H,6,9,12,15-17,19,26H2,1-5H3,(H,48,56)(H,49,54)(H,50,55)(H,58,59,60);7-8,11,13,15-16,19,21-26,32H,6,9-10,12,14,17-18,20,27H2,1-5H3,(H,48,56)(H,49,54)(H,50,55);;/t33-,42?;34-;31-,41?;32-;;/m1100../s1.
What are the key properties of 4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;bis(sulfur trioxide)?
4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;bis(sulfur trioxide) has a molecular weight of 3902.88 g/mol, XLogP of 33.12, 78 rotatable bonds, 14 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[2-methyl-2-(4-oxohexyldisulfanyl)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;1-[[1-[[5-[[4-[4-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-benzothiophene-2-carbonyl]amino]-2-methylpropan-2-yl]disulfanyl]-4-oxohexane-3-sulfonic acid;bis(sulfur trioxide) is sourced from PubChem (CID 157202544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).