(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[4-(2-aminoethylcarbamoyl)-6-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-6-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]carbamoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate

C234H360N26O43 — CID 158480619

IUPAC(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[4-(2-aminoethylcarbamoyl)-6-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-6-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]carbamoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate
SMILESCCC(C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)C(Cc1ncc(C(=O)CCCN)c(C)n1)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](Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)[C@@H](Cc1nc(C)cc(C(=O)NCCCC(=O)OC(C)(C)C)n1)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](Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)[C@@H](Cc1nc(C)cc(C(=O)NCCN)n1)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](Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)[C@@H](Cc1ncc(C(=O)CCCNC(=O)OC(C)(C)C)c(C)n1)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](Cc1ccccc1)C(C)=O)OC)N(C)C(=O)[C@@H](Cc1ncc(C(=O)CCCN)c(C)n1)C(C)C
InChIInChI=1S/2C50H77N5O10.C45H69N5O8.C45H69N5O7.C44H68N6O8/c1-14-32(4)45(54(10)47(59)37(31(2)3)28-43-52-30-38(34(6)53-43)40(56)23-18-24-51-49(61)65-50(7,8)9)42(62-11)29-44(58)55-25-19-22-39(55)46(63-12)33(5)41(57)27-36(48(60)64-13)26-35-20-16-15-17-21-35;1-14-32(4)45(54(10)48(60)37(31(2)3)29-42-52-33(5)26-38(53-42)47(59)51-24-18-23-44(58)65-50(7,8)9)41(62-11)30-43(57)55-25-19-22-39(55)46(63-12)34(6)40(56)28-36(49(61)64-13)27-35-20-16-15-17-21-35;1-11-29(4)42(49(7)44(54)34(28(2)3)25-40-47-27-35(31(6)48-40)37(51)20-15-21-46)39(56-8)26-41(53)50-22-16-19-36(50)43(57-9)30(5)38(52)24-33(45(55)58-10)23-32-17-13-12-14-18-32;1-11-29(4)43(49(8)45(55)35(28(2)3)25-41-47-27-36(31(6)48-41)38(52)20-15-21-46)40(56-9)26-42(54)50-22-16-19-37(50)44(57-10)30(5)39(53)24-34(32(7)51)23-33-17-13-12-14-18-33;1-11-28(4)40(49(7)43(54)33(27(2)3)25-38-47-29(5)22-34(48-38)42(53)46-20-19-45)37(56-8)26-39(52)50-21-15-18-35(50)41(57-9)30(6)36(51)24-32(44(55)58-10)23-31-16-13-12-14-17-31/h15-17,20-21,30-33,36-37,39,42,45-46H,14,18-19,22-29H2,1-13H3,(H,51,61);15-17,20-21,26,31-32,34,36-37,39,41,45-46H,14,18-19,22-25,27-30H2,1-13H3,(H,51,59);12-14,17-18,27-30,33-34,36,39,42-43H,11,15-16,19-26,46H2,1-10H3;12-14,17-18,27-30,34-35,37,40,43-44H,11,15-16,19-26,46H2,1-10H3;12-14,16-17,22,27-28,30,32-33,35,37,40-41H,11,15,18-21,23-26,45H2,1-10H3,(H,46,53)/t32-,33-,36+,37-,39-,42+,45-,46+;32-,34-,36+,37-,39-,41+,45-,46+;29?,30-,33+,34?,36-,39+,42-,43+;29-,30-,34+,35-,37-,40+,43-,44+;28-,30-,32+,33-,35-,37+,40-,41+/m00000/s1
InChIKeyHHMATDLWLYZJSG-VPBNTKLJSA-N
MW4225.59 g/mol
LogP28.84
Rot. Bonds121

About (2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[4-(2-aminoethylcarbamoyl)-6-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-6-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]carbamoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate

(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[4-(2-aminoethylcarbamoyl)-6-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-6-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]carbamoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate (PubChem CID 158480619) has the molecular formula C234H360N26O43 and a molecular weight of 4225.59 g/mol. Its IUPAC name is (2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[4-(2-aminoethylcarbamoyl)-6-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-6-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]carbamoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate.

Molecular Properties

Compound Name(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[4-(2-aminoethylcarbamoyl)-6-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-6-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]carbamoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate
PubChem CID158480619
Molecular FormulaC234H360N26O43
Molecular Weight4225.59 g/mol
Exact Mass4222.68
IUPAC Name(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[4-(2-aminoethylcarbamoyl)-6-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-6-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]carbamoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate
SMILESCCC(C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)C(Cc1ncc(C(=O)CCCN)c(C)n1)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](Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)[C@@H](Cc1nc(C)cc(C(=O)NCCCC(=O)OC(C)(C)C)n1)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](Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)[C@@H](Cc1nc(C)cc(C(=O)NCCN)n1)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](Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)[C@@H](Cc1ncc(C(=O)CCCNC(=O)OC(C)(C)C)c(C)n1)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](Cc1ccccc1)C(C)=O)OC)N(C)C(=O)[C@@H](Cc1ncc(C(=O)CCCN)c(C)n1)C(C)C
InChIInChI=1S/2C50H77N5O10.C45H69N5O8.C45H69N5O7.C44H68N6O8/c1-14-32(4)45(54(10)47(59)37(31(2)3)28-43-52-30-38(34(6)53-43)40(56)23-18-24-51-49(61)65-50(7,8)9)42(62-11)29-44(58)55-25-19-22-39(55)46(63-12)33(5)41(57)27-36(48(60)64-13)26-35-20-16-15-17-21-35;1-14-32(4)45(54(10)48(60)37(31(2)3)29-42-52-33(5)26-38(53-42)47(59)51-24-18-23-44(58)65-50(7,8)9)41(62-11)30-43(57)55-25-19-22-39(55)46(63-12)34(6)40(56)28-36(49(61)64-13)27-35-20-16-15-17-21-35;1-11-29(4)42(49(7)44(54)34(28(2)3)25-40-47-27-35(31(6)48-40)37(51)20-15-21-46)39(56-8)26-41(53)50-22-16-19-36(50)43(57-9)30(5)38(52)24-33(45(55)58-10)23-32-17-13-12-14-18-32;1-11-29(4)43(49(8)45(55)35(28(2)3)25-41-47-27-36(31(6)48-41)38(52)20-15-21-46)40(56-9)26-42(54)50-22-16-19-37(50)44(57-10)30(5)39(53)24-34(32(7)51)23-33-17-13-12-14-18-33;1-11-28(4)40(49(7)43(54)33(27(2)3)25-38-47-29(5)22-34(48-38)42(53)46-20-19-45)37(56-8)26-39(52)50-21-15-18-35(50)41(57-9)30(6)36(51)24-32(44(55)58-10)23-31-16-13-12-14-17-31/h15-17,20-21,30-33,36-37,39,42,45-46H,14,18-19,22-29H2,1-13H3,(H,51,61);15-17,20-21,26,31-32,34,36-37,39,41,45-46H,14,18-19,22-25,27-30H2,1-13H3,(H,51,59);12-14,17-18,27-30,33-34,36,39,42-43H,11,15-16,19-26,46H2,1-10H3;12-14,17-18,27-30,34-35,37,40,43-44H,11,15-16,19-26,46H2,1-10H3;12-14,16-17,22,27-28,30,32-33,35,37,40-41H,11,15,18-21,23-26,45H2,1-10H3,(H,46,53)/t32-,33-,36+,37-,39-,42+,45-,46+;32-,34-,36+,37-,39-,41+,45-,46+;29?,30-,33+,34?,36-,39+,42-,43+;29-,30-,34+,35-,37-,40+,43-,44+;28-,30-,32+,33-,35-,37+,40-,41+/m00000/s1
InChIKeyHHMATDLWLYZJSG-VPBNTKLJSA-N
XLogP28.84
TPSA884.02 Ų
H-Bond Donors6
H-Bond Acceptors56
Rotatable Bonds121
Heavy Atoms303
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004225.59
LogP ≤ 528.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1056

Analyze (2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[4-(2-aminoethylcarbamoyl)-6-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-6-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]carbamoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[4-(2-aminoethylcarbamoyl)-6-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-6-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]carbamoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate?
The IUPAC name of (2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[4-(2-aminoethylcarbamoyl)-6-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-6-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]carbamoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate (CID 158480619) is (2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[4-(2-aminoethylcarbamoyl)-6-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-6-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]carbamoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate.
What is the SMILES notation for (2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[4-(2-aminoethylcarbamoyl)-6-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-6-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]carbamoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate?
The canonical SMILES for (2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[4-(2-aminoethylcarbamoyl)-6-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-6-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]carbamoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate is CCC(C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)C(Cc1ncc(C(=O)CCCN)c(C)n1)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](Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)[C@@H](Cc1nc(C)cc(C(=O)NCCCC(=O)OC(C)(C)C)n1)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](Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)[C@@H](Cc1nc(C)cc(C(=O)NCCN)n1)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](Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)[C@@H](Cc1ncc(C(=O)CCCNC(=O)OC(C)(C)C)c(C)n1)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](Cc1ccccc1)C(C)=O)OC)N(C)C(=O)[C@@H](Cc1ncc(C(=O)CCCN)c(C)n1)C(C)C.
What is the InChIKey of (2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[4-(2-aminoethylcarbamoyl)-6-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-6-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]carbamoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate?
The InChIKey is HHMATDLWLYZJSG-VPBNTKLJSA-N. The full InChI is InChI=1S/2C50H77N5O10.C45H69N5O8.C45H69N5O7.C44H68N6O8/c1-14-32(4)45(54(10)47(59)37(31(2)3)28-43-52-30-38(34(6)53-43)40(56)23-18-24-51-49(61)65-50(7,8)9)42(62-11)29-44(58)55-25-19-22-39(55)46(63-12)33(5)41(57)27-36(48(60)64-13)26-35-20-16-15-17-21-35;1-14-32(4)45(54(10)48(60)37(31(2)3)29-42-52-33(5)26-38(53-42)47(59)51-24-18-23-44(58)65-50(7,8)9)41(62-11)30-43(57)55-25-19-22-39(55)46(63-12)34(6)40(56)28-36(49(61)64-13)27-35-20-16-15-17-21-35;1-11-29(4)42(49(7)44(54)34(28(2)3)25-40-47-27-35(31(6)48-40)37(51)20-15-21-46)39(56-8)26-41(53)50-22-16-19-36(50)43(57-9)30(5)38(52)24-33(45(55)58-10)23-32-17-13-12-14-18-32;1-11-29(4)43(49(8)45(55)35(28(2)3)25-41-47-27-36(31(6)48-41)38(52)20-15-21-46)40(56-9)26-42(54)50-22-16-19-37(50)44(57-10)30(5)39(53)24-34(32(7)51)23-33-17-13-12-14-18-33;1-11-28(4)40(49(7)43(54)33(27(2)3)25-38-47-29(5)22-34(48-38)42(53)46-20-19-45)37(56-8)26-39(52)50-21-15-18-35(50)41(57-9)30(6)36(51)24-32(44(55)58-10)23-31-16-13-12-14-17-31/h15-17,20-21,30-33,36-37,39,42,45-46H,14,18-19,22-29H2,1-13H3,(H,51,61);15-17,20-21,26,31-32,34,36-37,39,41,45-46H,14,18-19,22-25,27-30H2,1-13H3,(H,51,59);12-14,17-18,27-30,33-34,36,39,42-43H,11,15-16,19-26,46H2,1-10H3;12-14,17-18,27-30,34-35,37,40,43-44H,11,15-16,19-26,46H2,1-10H3;12-14,16-17,22,27-28,30,32-33,35,37,40-41H,11,15,18-21,23-26,45H2,1-10H3,(H,46,53)/t32-,33-,36+,37-,39-,42+,45-,46+;32-,34-,36+,37-,39-,41+,45-,46+;29?,30-,33+,34?,36-,39+,42-,43+;29-,30-,34+,35-,37-,40+,43-,44+;28-,30-,32+,33-,35-,37+,40-,41+/m00000/s1.
What are the key properties of (2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[4-(2-aminoethylcarbamoyl)-6-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-6-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]carbamoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate?
(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[4-(2-aminoethylcarbamoyl)-6-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-6-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]carbamoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate has a molecular weight of 4225.59 g/mol, XLogP of 28.84, 121 rotatable bonds, 6 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[5-(4-aminobutanoyl)-4-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[4-(2-aminoethylcarbamoyl)-6-methylpyrimidin-2-yl]methyl]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-2-benzyl-6-methoxy-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate;methyl (2R,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[4-methyl-6-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]carbamoyl]pyrimidin-2-yl]methyl]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoate is sourced from PubChem (CID 158480619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).