(2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;(2S)-2-[[(2S)-2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;hydrazine;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;isoindole-1,3-dione;methane;(3S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methylheptan-1-one;(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide;hydrate;hydrochloride

C197H311ClN24O50S3 — CID 163860685

IUPAC(2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;(2S)-2-[[(2S)-2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;hydrazine;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;isoindole-1,3-dione;methane;(3S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methylheptan-1-one;(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide;hydrate;hydrochloride
SMILESC.CC[C@H](C)C[C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)c1nccs1)OC.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCON)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCON1C(=O)c2ccccc2C1=O)C(C)C.CNC(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C.Cl.NN.O.O=C1NC(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1OCCOCCOCCOCCO.O=CCOCCOCCOCCON1C(=O)c2ccccc2C1=O.OCCOCCOCCOCCO
InChIInChI=1S/C57H85N7O12S.C49H83N7O10S.C30H44N2O4S.C16H21NO7.C16H19NO7.C12H25N3O2.C8H5NO2.C8H18O5.CH4.ClH.H4N2.H2O/c1-12-39(6)50(46(71-10)36-47(65)63-25-18-23-45(63)51(72-11)40(7)52(66)59-44(54-58-24-34-77-54)35-41-19-14-13-15-20-41)62(9)57(70)48(37(2)3)60-53(67)49(38(4)5)61(8)26-27-73-28-29-74-30-31-75-32-33-76-64-55(68)42-21-16-17-22-43(42)56(64)69;1-12-35(6)44(55(9)49(60)42(33(2)3)53-47(59)43(34(4)5)54(8)22-23-63-24-25-64-26-27-65-28-29-66-50)40(61-10)32-41(57)56-21-16-19-39(56)45(62-11)36(7)46(58)52-38(48-51-20-30-67-48)31-37-17-14-13-15-18-37;1-6-21(2)17-25(35-4)20-28(34)32-15-10-13-26(32)29(36-5)22(3)27(33)19-24(30-31-14-16-37-30)18-23-11-8-7-9-12-23;2*18-5-6-21-7-8-22-9-10-23-11-12-24-17-15(19)13-3-1-2-4-14(13)16(17)20;1-7(2)9(13-5)12(17)15-10(8(3)4)11(16)14-6;10-7-5-3-1-2-4-6(5)8(11)9-7;9-1-3-11-5-7-13-8-6-12-4-2-10;;;1-2;/h13-17,19-22,24,34,37-40,44-46,48-51H,12,18,23,25-33,35-36H2,1-11H3,(H,59,66)(H,60,67);13-15,17-18,20,30,33-36,38-40,42-45H,12,16,19,21-29,31-32,50H2,1-11H3,(H,52,58)(H,53,59);7-9,11-12,14,16,21-22,24-26,29H,6,10,13,15,17-20H2,1-5H3;1-4,18H,5-12H2;1-5H,6-12H2;7-10,13H,1-6H3,(H,14,16)(H,15,17);1-4H,(H,9,10,11);9-10H,1-8H2;1H4;1H;1-2H2;1H2/t39-,40+,44-,45-,46+,48-,49-,50-,51+;35-,36+,38-,39-,40+,42-,43-,44-,45+;21-,22-,24+,25-,26-,29+;;;9-,10-;;;;;;/m000..0....../s1
InChIKeyCKMNBRNOFZVPCQ-LMNYAGFGSA-N
MW3947.43 g/mol
LogP15.73
Rot. Bonds122

About (2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;(2S)-2-[[(2S)-2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;hydrazine;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;isoindole-1,3-dione;methane;(3S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methylheptan-1-one;(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide;hydrate;hydrochloride

(2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;(2S)-2-[[(2S)-2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;hydrazine;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;isoindole-1,3-dione;methane;(3S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methylheptan-1-one;(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide;hydrate;hydrochloride (PubChem CID 163860685) has the molecular formula C197H311ClN24O50S3 and a molecular weight of 3947.43 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;(2S)-2-[[(2S)-2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;hydrazine;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;isoindole-1,3-dione;methane;(3S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methylheptan-1-one;(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide;hydrate;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;(2S)-2-[[(2S)-2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;hydrazine;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;isoindole-1,3-dione;methane;(3S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methylheptan-1-one;(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide;hydrate;hydrochloride
PubChem CID163860685
Molecular FormulaC197H311ClN24O50S3
Molecular Weight3947.43 g/mol
Exact Mass3944.14
IUPAC Name(2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;(2S)-2-[[(2S)-2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;hydrazine;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;isoindole-1,3-dione;methane;(3S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methylheptan-1-one;(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide;hydrate;hydrochloride
SMILESC.CC[C@H](C)C[C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)c1nccs1)OC.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCON)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCON1C(=O)c2ccccc2C1=O)C(C)C.CNC(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C.Cl.NN.O.O=C1NC(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1OCCOCCOCCOCCO.O=CCOCCOCCOCCON1C(=O)c2ccccc2C1=O.OCCOCCOCCOCCO
InChIInChI=1S/C57H85N7O12S.C49H83N7O10S.C30H44N2O4S.C16H21NO7.C16H19NO7.C12H25N3O2.C8H5NO2.C8H18O5.CH4.ClH.H4N2.H2O/c1-12-39(6)50(46(71-10)36-47(65)63-25-18-23-45(63)51(72-11)40(7)52(66)59-44(54-58-24-34-77-54)35-41-19-14-13-15-20-41)62(9)57(70)48(37(2)3)60-53(67)49(38(4)5)61(8)26-27-73-28-29-74-30-31-75-32-33-76-64-55(68)42-21-16-17-22-43(42)56(64)69;1-12-35(6)44(55(9)49(60)42(33(2)3)53-47(59)43(34(4)5)54(8)22-23-63-24-25-64-26-27-65-28-29-66-50)40(61-10)32-41(57)56-21-16-19-39(56)45(62-11)36(7)46(58)52-38(48-51-20-30-67-48)31-37-17-14-13-15-18-37;1-6-21(2)17-25(35-4)20-28(34)32-15-10-13-26(32)29(36-5)22(3)27(33)19-24(30-31-14-16-37-30)18-23-11-8-7-9-12-23;2*18-5-6-21-7-8-22-9-10-23-11-12-24-17-15(19)13-3-1-2-4-14(13)16(17)20;1-7(2)9(13-5)12(17)15-10(8(3)4)11(16)14-6;10-7-5-3-1-2-4-6(5)8(11)9-7;9-1-3-11-5-7-13-8-6-12-4-2-10;;;1-2;/h13-17,19-22,24,34,37-40,44-46,48-51H,12,18,23,25-33,35-36H2,1-11H3,(H,59,66)(H,60,67);13-15,17-18,20,30,33-36,38-40,42-45H,12,16,19,21-29,31-32,50H2,1-11H3,(H,52,58)(H,53,59);7-9,11-12,14,16,21-22,24-26,29H,6,10,13,15,17-20H2,1-5H3;1-4,18H,5-12H2;1-5H,6-12H2;7-10,13H,1-6H3,(H,14,16)(H,15,17);1-4H,(H,9,10,11);9-10H,1-8H2;1H4;1H;1-2H2;1H2/t39-,40+,44-,45-,46+,48-,49-,50-,51+;35-,36+,38-,39-,40+,42-,43-,44-,45+;21-,22-,24+,25-,26-,29+;;;9-,10-;;;;;;/m000..0....../s1
InChIKeyCKMNBRNOFZVPCQ-LMNYAGFGSA-N
XLogP15.73
TPSA926.78 Ų
H-Bond Donors14
H-Bond Acceptors61
Rotatable Bonds122
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003947.43
LogP ≤ 515.73
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1061

Analyze (2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;(2S)-2-[[(2S)-2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;hydrazine;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;isoindole-1,3-dione;methane;(3S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methylheptan-1-one;(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide;hydrate;hydrochloride with MolForge

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Related Compounds

(2S)-2-[[(2S)-2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
CID 129153302
(2S)-N-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethyl]-2,6-bis[3-[2-[2-[2-[2-[[(2S)-1-[[(2S)-1-[[(3R,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanamide
CID 155196772
(2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoic acid;(2R,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S,5S)-5-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoic acid;(2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S,5S)-6-methyl-5-(methylamino)-4-oxo-2-propan-2-ylheptanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoic acid;2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]acetaldehyde;hydrazine;methane;hydrochloride
CID 160527599
N-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
CID 118086133
2-[2-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]ethoxy]ethyl N-tert-butylcarbamate
CID 142729661
(2S)-N-[(3R,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-[[3-methyl-2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]butanoyl]amino]butanamide
CID 126595974
(2S)-2-[[(2S)-2-[2-(dimethylamino)ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
CID 126596044
tert-butyl N-[2-[2-[[(2S)-1-[[(2S)-1-[[(5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]ethoxy]ethyl]-N-methylcarbamate
CID 144736605
(2S)-2-[[(2S)-2-[4-aminobutyl(methyl)amino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
CID 86303825
2-[[2-[4-aminobutyl(methyl)amino]-3-methylbutanoyl]amino]-N-[3-methoxy-1-[(2S)-2-[1-methoxy-2-methyl-3-oxo-3-[[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
CID 135305625
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
CID 118086002
(2S,5S)-5-[2-[2-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethoxy]ethoxy]ethyl-methylamino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide
CID 159610625

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;(2S)-2-[[(2S)-2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;hydrazine;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;isoindole-1,3-dione;methane;(3S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methylheptan-1-one;(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide;hydrate;hydrochloride?
The IUPAC name of (2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;(2S)-2-[[(2S)-2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;hydrazine;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;isoindole-1,3-dione;methane;(3S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methylheptan-1-one;(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide;hydrate;hydrochloride (CID 163860685) is (2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;(2S)-2-[[(2S)-2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;hydrazine;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;isoindole-1,3-dione;methane;(3S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methylheptan-1-one;(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide;hydrate;hydrochloride.
What is the SMILES notation for (2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;(2S)-2-[[(2S)-2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;hydrazine;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;isoindole-1,3-dione;methane;(3S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methylheptan-1-one;(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide;hydrate;hydrochloride?
The canonical SMILES for (2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;(2S)-2-[[(2S)-2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;hydrazine;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;isoindole-1,3-dione;methane;(3S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methylheptan-1-one;(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide;hydrate;hydrochloride is C.CC[C@H](C)C[C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)c1nccs1)OC.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCON)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCON1C(=O)c2ccccc2C1=O)C(C)C.CNC(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C.Cl.NN.O.O=C1NC(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1OCCOCCOCCOCCO.O=CCOCCOCCOCCON1C(=O)c2ccccc2C1=O.OCCOCCOCCOCCO.
What is the InChIKey of (2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;(2S)-2-[[(2S)-2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;hydrazine;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;isoindole-1,3-dione;methane;(3S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methylheptan-1-one;(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide;hydrate;hydrochloride?
The InChIKey is CKMNBRNOFZVPCQ-LMNYAGFGSA-N. The full InChI is InChI=1S/C57H85N7O12S.C49H83N7O10S.C30H44N2O4S.C16H21NO7.C16H19NO7.C12H25N3O2.C8H5NO2.C8H18O5.CH4.ClH.H4N2.H2O/c1-12-39(6)50(46(71-10)36-47(65)63-25-18-23-45(63)51(72-11)40(7)52(66)59-44(54-58-24-34-77-54)35-41-19-14-13-15-20-41)62(9)57(70)48(37(2)3)60-53(67)49(38(4)5)61(8)26-27-73-28-29-74-30-31-75-32-33-76-64-55(68)42-21-16-17-22-43(42)56(64)69;1-12-35(6)44(55(9)49(60)42(33(2)3)53-47(59)43(34(4)5)54(8)22-23-63-24-25-64-26-27-65-28-29-66-50)40(61-10)32-41(57)56-21-16-19-39(56)45(62-11)36(7)46(58)52-38(48-51-20-30-67-48)31-37-17-14-13-15-18-37;1-6-21(2)17-25(35-4)20-28(34)32-15-10-13-26(32)29(36-5)22(3)27(33)19-24(30-31-14-16-37-30)18-23-11-8-7-9-12-23;2*18-5-6-21-7-8-22-9-10-23-11-12-24-17-15(19)13-3-1-2-4-14(13)16(17)20;1-7(2)9(13-5)12(17)15-10(8(3)4)11(16)14-6;10-7-5-3-1-2-4-6(5)8(11)9-7;9-1-3-11-5-7-13-8-6-12-4-2-10;;;1-2;/h13-17,19-22,24,34,37-40,44-46,48-51H,12,18,23,25-33,35-36H2,1-11H3,(H,59,66)(H,60,67);13-15,17-18,20,30,33-36,38-40,42-45H,12,16,19,21-29,31-32,50H2,1-11H3,(H,52,58)(H,53,59);7-9,11-12,14,16,21-22,24-26,29H,6,10,13,15,17-20H2,1-5H3;1-4,18H,5-12H2;1-5H,6-12H2;7-10,13H,1-6H3,(H,14,16)(H,15,17);1-4H,(H,9,10,11);9-10H,1-8H2;1H4;1H;1-2H2;1H2/t39-,40+,44-,45-,46+,48-,49-,50-,51+;35-,36+,38-,39-,40+,42-,43-,44-,45+;21-,22-,24+,25-,26-,29+;;;9-,10-;;;;;;/m000..0....../s1.
What are the key properties of (2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;(2S)-2-[[(2S)-2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;hydrazine;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;isoindole-1,3-dione;methane;(3S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methylheptan-1-one;(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide;hydrate;hydrochloride?
(2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;(2S)-2-[[(2S)-2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;hydrazine;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;isoindole-1,3-dione;methane;(3S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methylheptan-1-one;(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide;hydrate;hydrochloride has a molecular weight of 3947.43 g/mol, XLogP of 15.73, 122 rotatable bonds, 14 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]acetaldehyde;(2S)-2-[[(2S)-2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;hydrazine;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;isoindole-1,3-dione;methane;(3S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methylheptan-1-one;(2S)-3-methyl-2-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide;hydrate;hydrochloride is sourced from PubChem (CID 163860685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).