(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-3-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-4-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(1,3-thiazol-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-5-[(4-methylpiperazin-1-yl)methyl]-3,6-dioxohexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide

C243H390N26O35S — CID 157230151

IUPAC(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-3-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-4-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(1,3-thiazol-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-5-[(4-methylpiperazin-1-yl)methyl]-3,6-dioxohexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide
SMILESCC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](CN1CCN(C)CC1)C(=O)NCc1ccc(C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)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)C[C@@H](Cc1ccccn1)C(=O)NCc1ccc(C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)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)C[C@@H](Cc1cccnc1)C(=O)NCc1ccc(C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)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)C[C@@H](Cc1ccncc1)C(=O)NCc1ccc(C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)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)C[C@@H](Cc1nccs1)C(=O)NCc1ccc(C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C
InChIInChI=1S/C49H84N6O7.3C49H77N5O7.C47H75N5O7S/c1-15-35(7)46(53(12)49(60)39(32(2)3)28-42(57)45(33(4)5)51(9)10)43(61-13)29-44(58)55-22-16-17-40(55)47(62-14)36(8)41(56)27-38(31-54-25-23-52(11)24-26-54)48(59)50-30-37-20-18-34(6)19-21-37;1-14-34(7)46(53(11)49(59)39(31(2)3)27-42(56)45(32(4)5)52(9)10)43(60-12)28-44(57)54-24-16-18-40(54)47(61-13)35(8)41(55)26-38(25-37-17-15-23-50-29-37)48(58)51-30-36-21-19-33(6)20-22-36;1-14-34(7)46(53(11)49(59)39(31(2)3)28-42(56)45(32(4)5)52(9)10)43(60-12)29-44(57)54-25-15-16-40(54)47(61-13)35(8)41(55)27-38(26-36-21-23-50-24-22-36)48(58)51-30-37-19-17-33(6)18-20-37;1-14-34(7)46(53(11)49(59)39(31(2)3)28-42(56)45(32(4)5)52(9)10)43(60-12)29-44(57)54-25-17-19-40(54)47(61-13)35(8)41(55)27-37(26-38-18-15-16-24-50-38)48(58)51-30-36-22-20-33(6)21-23-36;1-14-32(7)44(51(11)47(57)36(29(2)3)26-39(54)43(30(4)5)50(9)10)40(58-12)27-42(55)52-22-15-16-37(52)45(59-13)33(8)38(53)24-35(25-41-48-21-23-60-41)46(56)49-28-34-19-17-31(6)18-20-34/h18-21,32-33,35-36,38-40,43,45-47H,15-17,22-31H2,1-14H3,(H,50,59);15,17,19-23,29,31-32,34-35,38-40,43,45-47H,14,16,18,24-28,30H2,1-13H3,(H,51,58);17-24,31-32,34-35,38-40,43,45-47H,14-16,25-30H2,1-13H3,(H,51,58);15-16,18,20-24,31-32,34-35,37,39-40,43,45-47H,14,17,19,25-30H2,1-13H3,(H,51,58);17-21,23,29-30,32-33,35-37,40,43-45H,14-16,22,24-28H2,1-13H3,(H,49,56)/t35-,36-,38-,39-,40-,43+,45-,46-,47+;2*34-,35-,38+,39-,40-,43+,45-,46-,47+;34-,35-,37+,39-,40-,43+,45-,46-,47+;32-,33-,35-,36-,37-,40+,43-,44-,45+/m00000/s1
InChIKeyATZVVGUWXZBMHT-OWLWYVHQSA-N
MW4268.01 g/mol
LogP31.48
Rot. Bonds125

About (2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-3-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-4-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(1,3-thiazol-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-5-[(4-methylpiperazin-1-yl)methyl]-3,6-dioxohexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide

(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-3-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-4-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(1,3-thiazol-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-5-[(4-methylpiperazin-1-yl)methyl]-3,6-dioxohexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide (PubChem CID 157230151) has the molecular formula C243H390N26O35S and a molecular weight of 4268.01 g/mol. Its IUPAC name is (2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-3-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-4-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(1,3-thiazol-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-5-[(4-methylpiperazin-1-yl)methyl]-3,6-dioxohexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide.

Molecular Properties

Compound Name(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-3-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-4-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(1,3-thiazol-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-5-[(4-methylpiperazin-1-yl)methyl]-3,6-dioxohexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide
PubChem CID157230151
Molecular FormulaC243H390N26O35S
Molecular Weight4268.01 g/mol
Exact Mass4264.93
IUPAC Name(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-3-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-4-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(1,3-thiazol-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-5-[(4-methylpiperazin-1-yl)methyl]-3,6-dioxohexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide
SMILESCC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](CN1CCN(C)CC1)C(=O)NCc1ccc(C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)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)C[C@@H](Cc1ccccn1)C(=O)NCc1ccc(C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)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)C[C@@H](Cc1cccnc1)C(=O)NCc1ccc(C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)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)C[C@@H](Cc1ccncc1)C(=O)NCc1ccc(C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)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)C[C@@H](Cc1nccs1)C(=O)NCc1ccc(C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C
InChIInChI=1S/C49H84N6O7.3C49H77N5O7.C47H75N5O7S/c1-15-35(7)46(53(12)49(60)39(32(2)3)28-42(57)45(33(4)5)51(9)10)43(61-13)29-44(58)55-22-16-17-40(55)47(62-14)36(8)41(56)27-38(31-54-25-23-52(11)24-26-54)48(59)50-30-37-20-18-34(6)19-21-37;1-14-34(7)46(53(11)49(59)39(31(2)3)27-42(56)45(32(4)5)52(9)10)43(60-12)28-44(57)54-24-16-18-40(54)47(61-13)35(8)41(55)26-38(25-37-17-15-23-50-29-37)48(58)51-30-36-21-19-33(6)20-22-36;1-14-34(7)46(53(11)49(59)39(31(2)3)28-42(56)45(32(4)5)52(9)10)43(60-12)29-44(57)54-25-15-16-40(54)47(61-13)35(8)41(55)27-38(26-36-21-23-50-24-22-36)48(58)51-30-37-19-17-33(6)18-20-37;1-14-34(7)46(53(11)49(59)39(31(2)3)28-42(56)45(32(4)5)52(9)10)43(60-12)29-44(57)54-25-17-19-40(54)47(61-13)35(8)41(55)27-37(26-38-18-15-16-24-50-38)48(58)51-30-36-22-20-33(6)21-23-36;1-14-32(7)44(51(11)47(57)36(29(2)3)26-39(54)43(30(4)5)50(9)10)40(58-12)27-42(55)52-22-15-16-37(52)45(59-13)33(8)38(53)24-35(25-41-48-21-23-60-41)46(56)49-28-34-19-17-31(6)18-20-34/h18-21,32-33,35-36,38-40,43,45-47H,15-17,22-31H2,1-14H3,(H,50,59);15,17,19-23,29,31-32,34-35,38-40,43,45-47H,14,16,18,24-28,30H2,1-13H3,(H,51,58);17-24,31-32,34-35,38-40,43,45-47H,14-16,25-30H2,1-13H3,(H,51,58);15-16,18,20-24,31-32,34-35,37,39-40,43,45-47H,14,17,19,25-30H2,1-13H3,(H,51,58);17-21,23,29-30,32-33,35-37,40,43-45H,14-16,22,24-28H2,1-13H3,(H,49,56)/t35-,36-,38-,39-,40-,43+,45-,46-,47+;2*34-,35-,38+,39-,40-,43+,45-,46-,47+;34-,35-,37+,39-,40-,43+,45-,46-,47+;32-,33-,35-,36-,37-,40+,43-,44-,45+/m00000/s1
InChIKeyATZVVGUWXZBMHT-OWLWYVHQSA-N
XLogP31.48
TPSA685.84 Ų
H-Bond Donors5
H-Bond Acceptors47
Rotatable Bonds125
Heavy Atoms305
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004268.01
LogP ≤ 531.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1047

Analyze (2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-3-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-4-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(1,3-thiazol-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-5-[(4-methylpiperazin-1-yl)methyl]-3,6-dioxohexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-3-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-4-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(1,3-thiazol-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-5-[(4-methylpiperazin-1-yl)methyl]-3,6-dioxohexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide?
The IUPAC name of (2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-3-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-4-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(1,3-thiazol-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-5-[(4-methylpiperazin-1-yl)methyl]-3,6-dioxohexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide (CID 157230151) is (2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-3-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-4-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(1,3-thiazol-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-5-[(4-methylpiperazin-1-yl)methyl]-3,6-dioxohexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide.
What is the SMILES notation for (2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-3-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-4-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(1,3-thiazol-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-5-[(4-methylpiperazin-1-yl)methyl]-3,6-dioxohexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide?
The canonical SMILES for (2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-3-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-4-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(1,3-thiazol-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-5-[(4-methylpiperazin-1-yl)methyl]-3,6-dioxohexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide is CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](CN1CCN(C)CC1)C(=O)NCc1ccc(C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)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)C[C@@H](Cc1ccccn1)C(=O)NCc1ccc(C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)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)C[C@@H](Cc1cccnc1)C(=O)NCc1ccc(C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)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)C[C@@H](Cc1ccncc1)C(=O)NCc1ccc(C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)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)C[C@@H](Cc1nccs1)C(=O)NCc1ccc(C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C.
What is the InChIKey of (2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-3-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-4-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(1,3-thiazol-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-5-[(4-methylpiperazin-1-yl)methyl]-3,6-dioxohexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide?
The InChIKey is ATZVVGUWXZBMHT-OWLWYVHQSA-N. The full InChI is InChI=1S/C49H84N6O7.3C49H77N5O7.C47H75N5O7S/c1-15-35(7)46(53(12)49(60)39(32(2)3)28-42(57)45(33(4)5)51(9)10)43(61-13)29-44(58)55-22-16-17-40(55)47(62-14)36(8)41(56)27-38(31-54-25-23-52(11)24-26-54)48(59)50-30-37-20-18-34(6)19-21-37;1-14-34(7)46(53(11)49(59)39(31(2)3)27-42(56)45(32(4)5)52(9)10)43(60-12)28-44(57)54-24-16-18-40(54)47(61-13)35(8)41(55)26-38(25-37-17-15-23-50-29-37)48(58)51-30-36-21-19-33(6)20-22-36;1-14-34(7)46(53(11)49(59)39(31(2)3)28-42(56)45(32(4)5)52(9)10)43(60-12)29-44(57)54-25-15-16-40(54)47(61-13)35(8)41(55)27-38(26-36-21-23-50-24-22-36)48(58)51-30-37-19-17-33(6)18-20-37;1-14-34(7)46(53(11)49(59)39(31(2)3)28-42(56)45(32(4)5)52(9)10)43(60-12)29-44(57)54-25-17-19-40(54)47(61-13)35(8)41(55)27-37(26-38-18-15-16-24-50-38)48(58)51-30-36-22-20-33(6)21-23-36;1-14-32(7)44(51(11)47(57)36(29(2)3)26-39(54)43(30(4)5)50(9)10)40(58-12)27-42(55)52-22-15-16-37(52)45(59-13)33(8)38(53)24-35(25-41-48-21-23-60-41)46(56)49-28-34-19-17-31(6)18-20-34/h18-21,32-33,35-36,38-40,43,45-47H,15-17,22-31H2,1-14H3,(H,50,59);15,17,19-23,29,31-32,34-35,38-40,43,45-47H,14,16,18,24-28,30H2,1-13H3,(H,51,58);17-24,31-32,34-35,38-40,43,45-47H,14-16,25-30H2,1-13H3,(H,51,58);15-16,18,20-24,31-32,34-35,37,39-40,43,45-47H,14,17,19,25-30H2,1-13H3,(H,51,58);17-21,23,29-30,32-33,35-37,40,43-45H,14-16,22,24-28H2,1-13H3,(H,49,56)/t35-,36-,38-,39-,40-,43+,45-,46-,47+;2*34-,35-,38+,39-,40-,43+,45-,46-,47+;34-,35-,37+,39-,40-,43+,45-,46-,47+;32-,33-,35-,36-,37-,40+,43-,44-,45+/m00000/s1.
What are the key properties of (2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-3-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-4-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(1,3-thiazol-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-5-[(4-methylpiperazin-1-yl)methyl]-3,6-dioxohexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide?
(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-3-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-4-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(1,3-thiazol-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-5-[(4-methylpiperazin-1-yl)methyl]-3,6-dioxohexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide has a molecular weight of 4268.01 g/mol, XLogP of 31.48, 125 rotatable bonds, 5 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-3-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(pyridin-4-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-3,6-dioxo-5-(1,3-thiazol-2-ylmethyl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5S)-1-methoxy-2-methyl-6-[(4-methylphenyl)methylamino]-5-[(4-methylpiperazin-1-yl)methyl]-3,6-dioxohexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide is sourced from PubChem (CID 157230151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).