(12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;1-[7-[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-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;1-[7-[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[(8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;9-[[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;tetrakis(sulfur trioxide)

C252H288N16O58S10 — CID 158555037

IUPAC(12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;1-[7-[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-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;1-[7-[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[(8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;9-[[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;tetrakis(sulfur trioxide)
SMILESCCCOCCOCCN(CCCC(=O)CCCN1C(=O)CC(SC)C1=O)c1cc(COc2cc3c(cc2C)C(=O)N2c4ccccc4CC2C(S(=O)(=O)O)C3)cc(COc2cc3c(cc2OC)C(=O)N2c4ccccc4CC2CC3)c1.CCCOCCOCCN(CCCC(=O)CCCN1C(=O)CC(SC)C1=O)c1cc(COc2cc3c(cc2C)C(=O)N2c4ccccc4CC2CC3)cc(COc2cc3c(cc2OC)C(=O)N2c4ccccc4CC2CC3)c1.CCCOCCOCCN(CCCC(=O)CCCN1C(=O)CC(SC)C1=O)c1cc(COc2cc3c(cc2C)C(=O)N2c4ccccc4C[C@H]2C(S(=O)(=O)O)C3)cc(COc2cc3c(cc2OC)C(=O)N2c4ccccc4C[C@H]2CC3)c1.CCCOCCOCCN(CCCC(=O)CCCN1C(=O)CC(SC)C1=O)c1cc(COc2cc3c(cc2C)C(=O)N2c4ccccc4C[C@H]2CC3)cc(COc2cc3c(cc2OC)C(=O)N2c4ccccc4C[C@H]2CC3)c1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/2C63H72N4O13S2.2C63H72N4O10S.4O3S/c2*1-5-23-77-25-26-78-24-22-64(20-10-14-49(68)15-11-21-65-60(69)37-58(81-4)63(65)72)48-29-41(38-79-55-34-46-35-59(82(73,74)75)54-32-45-13-7-9-17-53(45)67(54)62(71)50(46)27-40(55)2)28-42(30-48)39-80-57-33-43-18-19-47-31-44-12-6-8-16-52(44)66(47)61(70)51(43)36-56(57)76-3;2*1-5-25-74-27-28-75-26-24-64(22-10-14-51(68)15-11-23-65-60(69)38-59(78-4)63(65)72)50-31-42(39-76-56-35-44-18-20-48-33-46-12-6-8-16-54(46)66(48)61(70)52(44)29-41(56)2)30-43(32-50)40-77-58-36-45-19-21-49-34-47-13-7-9-17-55(47)67(49)62(71)53(45)37-57(58)73-3;4*1-4(2)3/h2*6-9,12-13,16-17,27-30,33-34,36,47,54,58-59H,5,10-11,14-15,18-26,31-32,35,37-39H2,1-4H3,(H,73,74,75);2*6-9,12-13,16-17,29-32,35-37,48-49,59H,5,10-11,14-15,18-28,33-34,38-40H2,1-4H3;;;;/t47-,54+,58?,59?;;48-,49-,59?;;;;;/m1.1...../s1
InChIKeyHQEKJTZNRINKCA-NPNPKXQWSA-N
MW4789.80 g/mol
LogP33.98
Rot. Bonds102

About (12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;1-[7-[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-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;1-[7-[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[(8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;9-[[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;tetrakis(sulfur trioxide)

(12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;1-[7-[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-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;1-[7-[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[(8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;9-[[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;tetrakis(sulfur trioxide) (PubChem CID 158555037) has the molecular formula C252H288N16O58S10 and a molecular weight of 4789.80 g/mol. Its IUPAC name is (12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;1-[7-[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-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;1-[7-[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[(8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;9-[[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;tetrakis(sulfur trioxide).

Molecular Properties

Compound Name(12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;1-[7-[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-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;1-[7-[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[(8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;9-[[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;tetrakis(sulfur trioxide)
PubChem CID158555037
Molecular FormulaC252H288N16O58S10
Molecular Weight4789.80 g/mol
Exact Mass4785.73
IUPAC Name(12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;1-[7-[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-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;1-[7-[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[(8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;9-[[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;tetrakis(sulfur trioxide)
SMILESCCCOCCOCCN(CCCC(=O)CCCN1C(=O)CC(SC)C1=O)c1cc(COc2cc3c(cc2C)C(=O)N2c4ccccc4CC2C(S(=O)(=O)O)C3)cc(COc2cc3c(cc2OC)C(=O)N2c4ccccc4CC2CC3)c1.CCCOCCOCCN(CCCC(=O)CCCN1C(=O)CC(SC)C1=O)c1cc(COc2cc3c(cc2C)C(=O)N2c4ccccc4CC2CC3)cc(COc2cc3c(cc2OC)C(=O)N2c4ccccc4CC2CC3)c1.CCCOCCOCCN(CCCC(=O)CCCN1C(=O)CC(SC)C1=O)c1cc(COc2cc3c(cc2C)C(=O)N2c4ccccc4C[C@H]2C(S(=O)(=O)O)C3)cc(COc2cc3c(cc2OC)C(=O)N2c4ccccc4C[C@H]2CC3)c1.CCCOCCOCCN(CCCC(=O)CCCN1C(=O)CC(SC)C1=O)c1cc(COc2cc3c(cc2C)C(=O)N2c4ccccc4C[C@H]2CC3)cc(COc2cc3c(cc2OC)C(=O)N2c4ccccc4C[C@H]2CC3)c1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/2C63H72N4O13S2.2C63H72N4O10S.4O3S/c2*1-5-23-77-25-26-78-24-22-64(20-10-14-49(68)15-11-21-65-60(69)37-58(81-4)63(65)72)48-29-41(38-79-55-34-46-35-59(82(73,74)75)54-32-45-13-7-9-17-53(45)67(54)62(71)50(46)27-40(55)2)28-42(30-48)39-80-57-33-43-18-19-47-31-44-12-6-8-16-52(44)66(47)61(70)51(43)36-56(57)76-3;2*1-5-25-74-27-28-75-26-24-64(22-10-14-51(68)15-11-23-65-60(69)38-59(78-4)63(65)72)50-31-42(39-76-56-35-44-18-20-48-33-46-12-6-8-16-54(46)66(48)61(70)52(44)29-41(56)2)30-43(32-50)40-77-58-36-45-19-21-49-34-47-13-7-9-17-55(47)67(49)62(71)53(45)37-57(58)73-3;4*1-4(2)3/h2*6-9,12-13,16-17,27-30,33-34,36,47,54,58-59H,5,10-11,14-15,18-26,31-32,35,37-39H2,1-4H3,(H,73,74,75);2*6-9,12-13,16-17,29-32,35-37,48-49,59H,5,10-11,14-15,18-28,33-34,38-40H2,1-4H3;;;;/t47-,54+,58?,59?;;48-,49-,59?;;;;;/m1.1...../s1
InChIKeyHQEKJTZNRINKCA-NPNPKXQWSA-N
XLogP33.98
TPSA891.42 Ų
H-Bond Donors2
H-Bond Acceptors64
Rotatable Bonds102
Heavy Atoms336
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004789.80
LogP ≤ 533.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1064

Analyze (12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;1-[7-[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-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;1-[7-[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[(8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;9-[[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;tetrakis(sulfur trioxide) with MolForge

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Related Compounds

1-[7-[3,5-bis[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-9-yl]oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione
CID 162291479
(2,5-dioxopyrrolidin-1-yl) 4-[3-[[(12aS)-8-methoxy-12-methyl-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-propoxyethoxy)ethyl]anilino]butanoate;sulfur trioxide
CID 157390382
(2,5-dioxopyrrolidin-1-yl) 4-[3-[[(12aS)-8-methoxy-12-methyl-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-propoxyethoxy)ethyl]anilino]butanoate
CID 157390383
[(12aS)-9-[[3-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[(5-methyl-4-oxohexyl)-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-12-yl]methanesulfonic acid
CID 161355429
(2R,5S)-N-[3-[[(12aS)-8,11-dimethyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxymethyl]-5-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxymethyl]phenyl]-2-methyl-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptanoyl]amino]-4-oxohexanamide;1-[7-[3-[[(12aS)-8,11-dimethyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxymethyl]-5-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;(2R,5S)-N-[3-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]phenyl]-2-methyl-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptanoyl]amino]-4-oxohexanamide;1-[7-[3-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-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-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;hexakis(yttrium)
CID 162291488
(2,5-dioxopyrrolidin-1-yl) 4-[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-propoxyethoxy)ethyl]anilino]butanoate
CID 159405372
4-[3-[[(12aS)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxymethyl]-5-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]butanoic acid
CID 161110588
(2,5-dioxopyrrolidin-1-yl) 4-[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-methoxyethoxy)ethoxy]ethyl]anilino]butanoate
CID 157212040
disodium;(12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[(2-methyl-2-sulfanylpropyl)-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one;(12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[(2-methyl-2-sulfanylpropyl)-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonate;hydride;sulfur trioxide
CID 158124180
(12aS)-9-[[3-[[(12aR)-8-methoxy-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-[(3-methyl-4-oxohexyl)disulfanyl]propyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid
CID 161203878
disodium;(12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[(2-methyl-2-sulfanylpropyl)-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one;(12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[(2-methyl-2-sulfanylpropyl)-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonate;hydride;methane;sulfur trioxide
CID 161443630
sodium;(12aS)-9-[[3-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[(2-methyl-2-sulfanylpropyl)-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methoxy-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-11-id-6-one;sulfur trioxide
CID 161191321

Frequently Asked Questions

What is the IUPAC name of (12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;1-[7-[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-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;1-[7-[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[(8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;9-[[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;tetrakis(sulfur trioxide)?
The IUPAC name of (12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;1-[7-[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-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;1-[7-[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[(8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;9-[[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;tetrakis(sulfur trioxide) (CID 158555037) is (12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;1-[7-[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-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;1-[7-[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[(8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;9-[[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;tetrakis(sulfur trioxide).
What is the SMILES notation for (12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;1-[7-[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-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;1-[7-[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[(8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;9-[[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;tetrakis(sulfur trioxide)?
The canonical SMILES for (12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;1-[7-[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-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;1-[7-[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[(8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;9-[[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;tetrakis(sulfur trioxide) is CCCOCCOCCN(CCCC(=O)CCCN1C(=O)CC(SC)C1=O)c1cc(COc2cc3c(cc2C)C(=O)N2c4ccccc4CC2C(S(=O)(=O)O)C3)cc(COc2cc3c(cc2OC)C(=O)N2c4ccccc4CC2CC3)c1.CCCOCCOCCN(CCCC(=O)CCCN1C(=O)CC(SC)C1=O)c1cc(COc2cc3c(cc2C)C(=O)N2c4ccccc4CC2CC3)cc(COc2cc3c(cc2OC)C(=O)N2c4ccccc4CC2CC3)c1.CCCOCCOCCN(CCCC(=O)CCCN1C(=O)CC(SC)C1=O)c1cc(COc2cc3c(cc2C)C(=O)N2c4ccccc4C[C@H]2C(S(=O)(=O)O)C3)cc(COc2cc3c(cc2OC)C(=O)N2c4ccccc4C[C@H]2CC3)c1.CCCOCCOCCN(CCCC(=O)CCCN1C(=O)CC(SC)C1=O)c1cc(COc2cc3c(cc2C)C(=O)N2c4ccccc4C[C@H]2CC3)cc(COc2cc3c(cc2OC)C(=O)N2c4ccccc4C[C@H]2CC3)c1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.
What is the InChIKey of (12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;1-[7-[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-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;1-[7-[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[(8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;9-[[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;tetrakis(sulfur trioxide)?
The InChIKey is HQEKJTZNRINKCA-NPNPKXQWSA-N. The full InChI is InChI=1S/2C63H72N4O13S2.2C63H72N4O10S.4O3S/c2*1-5-23-77-25-26-78-24-22-64(20-10-14-49(68)15-11-21-65-60(69)37-58(81-4)63(65)72)48-29-41(38-79-55-34-46-35-59(82(73,74)75)54-32-45-13-7-9-17-53(45)67(54)62(71)50(46)27-40(55)2)28-42(30-48)39-80-57-33-43-18-19-47-31-44-12-6-8-16-52(44)66(47)61(70)51(43)36-56(57)76-3;2*1-5-25-74-27-28-75-26-24-64(22-10-14-51(68)15-11-23-65-60(69)38-59(78-4)63(65)72)50-31-42(39-76-56-35-44-18-20-48-33-46-12-6-8-16-54(46)66(48)61(70)52(44)29-41(56)2)30-43(32-50)40-77-58-36-45-19-21-49-34-47-13-7-9-17-55(47)67(49)62(71)53(45)37-57(58)73-3;4*1-4(2)3/h2*6-9,12-13,16-17,27-30,33-34,36,47,54,58-59H,5,10-11,14-15,18-26,31-32,35,37-39H2,1-4H3,(H,73,74,75);2*6-9,12-13,16-17,29-32,35-37,48-49,59H,5,10-11,14-15,18-28,33-34,38-40H2,1-4H3;;;;/t47-,54+,58?,59?;;48-,49-,59?;;;;;/m1.1...../s1.
What are the key properties of (12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;1-[7-[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-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;1-[7-[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[(8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;9-[[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;tetrakis(sulfur trioxide)?
(12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;1-[7-[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-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;1-[7-[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[(8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;9-[[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;tetrakis(sulfur trioxide) has a molecular weight of 4789.80 g/mol, XLogP of 33.98, 102 rotatable bonds, 2 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for (12aS)-9-[[3-[[(12aR)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;1-[7-[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-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;1-[7-[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[(8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-N-[2-(2-propoxyethoxy)ethyl]anilino]-4-oxoheptyl]-3-methylsulfanylpyrrolidine-2,5-dione;9-[[3-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl)oxymethyl]-5-[[7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptyl]-[2-(2-propoxyethoxy)ethyl]amino]phenyl]methoxy]-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepine-12-sulfonic acid;tetrakis(sulfur trioxide) is sourced from PubChem (CID 158555037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).