(2R)-2-(2-aminoethyl)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-[(8S,11R,14S)-8-(3-cyanopropanoyl)-3-hydroxy-18-(4-iminopentoxy)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxobutanamide;tert-butyl N-[(3R)-3-[[(8S,11R,14S)-18-butoxy-8-(3-cyanopropanoyl)-3,11-dimethyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-methylcarbamoyl]-5-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-5-oxopentyl]carbamate;ethyl ethanimidate;1-methoxy-4-nitrobenzene;bis(methyl (8S,11R,14S)-3,11-dimethyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate);(4-nitrophenyl) carbonochloridate;(4-nitrophenyl) 2-trimethylsilylethyl carbonate;sulfane;2-trimethylsilylethanol;hydrochloride

C214H271Cl2N21O43S2Si2 — CID 160643723

About (2R)-2-(2-aminoethyl)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-[(8S,11R,14S)-8-(3-cyanopropanoyl)-3-hydroxy-18-(4-iminopentoxy)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxobutanamide;tert-butyl N-[(3R)-3-[[(8S,11R,14S)-18-butoxy-8-(3-cyanopropanoyl)-3,11-dimethyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-methylcarbamoyl]-5-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-5-oxopentyl]carbamate;ethyl ethanimidate;1-methoxy-4-nitrobenzene;bis(methyl (8S,11R,14S)-3,11-dimethyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate);(4-nitrophenyl) carbonochloridate;(4-nitrophenyl) 2-trimethylsilylethyl carbonate;sulfane;2-trimethylsilylethanol;hydrochloride

(2R)-2-(2-aminoethyl)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-[(8S,11R,14S)-8-(3-cyanopropanoyl)-3-hydroxy-18-(4-iminopentoxy)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxobutanamide;tert-butyl N-[(3R)-3-[[(8S,11R,14S)-18-butoxy-8-(3-cyanopropanoyl)-3,11-dimethyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-methylcarbamoyl]-5-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-5-oxopentyl]carbamate;ethyl ethanimidate;1-methoxy-4-nitrobenzene;bis(methyl (8S,11R,14S)-3,11-dimethyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate);(4-nitrophenyl) carbonochloridate;(4-nitrophenyl) 2-trimethylsilylethyl carbonate;sulfane;2-trimethylsilylethanol;hydrochloride (PubChem CID 160643723) has the molecular formula C214H271Cl2N21O43S2Si2 and a molecular weight of 4016.84 g/mol. Its IUPAC name is (2R)-2-(2-aminoethyl)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-[(8S,11R,14S)-8-(3-cyanopropanoyl)-3-hydroxy-18-(4-iminopentoxy)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxobutanamide;tert-butyl N-[(3R)-3-[[(8S,11R,14S)-18-butoxy-8-(3-cyanopropanoyl)-3,11-dimethyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-methylcarbamoyl]-5-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-5-oxopentyl]carbamate;ethyl ethanimidate;1-methoxy-4-nitrobenzene;bis(methyl (8S,11R,14S)-3,11-dimethyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate);(4-nitrophenyl) carbonochloridate;(4-nitrophenyl) 2-trimethylsilylethyl carbonate;sulfane;2-trimethylsilylethanol;hydrochloride.

Molecular Properties

• Compound Name: (2R)-2-(2-aminoethyl)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-[(8S,11R,14S)-8-(3-cyanopropanoyl)-3-hydroxy-18-(4-iminopentoxy)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxobutanamide;tert-butyl N-[(3R)-3-[[(8S,11R,14S)-18-butoxy-8-(3-cyanopropanoyl)-3,11-dimethyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-methylcarbamoyl]-5-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-5-oxopentyl]carbamate;ethyl ethanimidate;1-methoxy-4-nitrobenzene;bis(methyl (8S,11R,14S)-3,11-dimethyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate);(4-nitrophenyl) carbonochloridate;(4-nitrophenyl) 2-trimethylsilylethyl carbonate;sulfane;2-trimethylsilylethanol;hydrochloride
• PubChem CID: 160643723
• Molecular Formula: C214H271Cl2N21O43S2Si2
• Molecular Weight: 4016.84 g/mol
• Exact Mass: 4012.80
• IUPAC Name: (2R)-2-(2-aminoethyl)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-[(8S,11R,14S)-8-(3-cyanopropanoyl)-3-hydroxy-18-(4-iminopentoxy)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxobutanamide;tert-butyl N-[(3R)-3-[[(8S,11R,14S)-18-butoxy-8-(3-cyanopropanoyl)-3,11-dimethyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-methylcarbamoyl]-5-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-5-oxopentyl]carbamate;ethyl ethanimidate;1-methoxy-4-nitrobenzene;bis(methyl (8S,11R,14S)-3,11-dimethyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate);(4-nitrophenyl) carbonochloridate;(4-nitrophenyl) 2-trimethylsilylethyl carbonate;sulfane;2-trimethylsilylethanol;hydrochloride
• SMILES: CCCCOc1ccc2cc1-c1cc(ccc1C)C[C@@H](C(=O)CCC#N)NC(=O)[C@H](C)CC(=O)[C@H]2N(C)C(=O)[C@H](CCNC(=O)OC(C)(C)C)CC(=O)c1c(C)nc(-c2ccc(C(C)(C)C)cc2)nc1C.CCCOc1ccc2cc1-c1cc(ccc1C)C[C@@H](C(=O)OC)NC(=O)[C@H](C)CC(=O)[C@H]2N(C)C(=O)OCc1ccccc1.CCCOc1ccc2cc1-c1cc(ccc1C)C[C@@H](C(=O)OC)NC(=O)[C@H](C)CC(=O)[C@H]2N(C)C(=O)OCc1ccccc1.COc1ccc([N+](=O)[O-])cc1.C[Si](C)(C)CCO.C[Si](C)(C)CCOC(=O)Oc1ccc([N+](=O)[O-])cc1.Cl.O=C(Cl)Oc1ccc([N+](=O)[O-])cc1.S.S.[H]/N=C(\C)CCCOc1ccc2cc1-c1cc(ccc1O)C[C@@H](C(=O)CCC#N)NC(=O)[C@H](C)CC(=O)[C@H]2N(C)C(=O)[C@H](CCN)CC(=O)c1c(C)nc(-c2ccc(C(C)(C)C)cc2)nc1C.[H]/N=C(\C)OCC
• InChI: InChI=1S/C57H72N6O8.C52H63N7O7.2C35H40N2O7.C12H17NO5Si.C7H4ClNO4.C7H7NO3.C5H14OSi.C4H9NO.ClH.2H2S/c1-13-14-28-70-49-24-21-40-32-44(49)43-30-38(18-17-34(43)2)31-45(46(64)16-15-26-58)62-53(67)35(3)29-48(66)51(40)63(12)54(68)41(25-27-59-55(69)71-57(9,10)11)33-47(65)50-36(4)60-52(61-37(50)5)39-19-22-42(23-20-39)56(6,7)8;1-30-25-45(63)48(59(8)51(65)37(21-23-54)29-44(62)47-32(3)56-49(57-33(47)4)35-14-17-38(18-15-35)52(5,6)7)36-16-20-46(66-24-10-11-31(2)55)40(28-36)39-26-34(13-19-42(39)60)27-41(58-50(30)64)43(61)12-9-22-53;2*1-6-16-43-31-15-14-26-20-28(31)27-18-25(13-12-22(27)2)19-29(34(40)42-5)36-33(39)23(3)17-30(38)32(26)37(4)35(41)44-21-24-10-8-7-9-11-24;1-19(2,3)9-8-17-12(14)18-11-6-4-10(5-7-11)13(15)16;8-7(10)13-6-3-1-5(2-4-6)9(11)12;1-11-7-4-2-6(3-5-7)8(9)10;1-7(2,3)5-4-6;1-3-6-4(2)5;;;/h17-24,30,32,35,41,45,51H,13-16,25,27-29,31,33H2,1-12H3,(H,59,69)(H,62,67);13-20,26,28,30,37,41,48,55,60H,9-12,21,23-25,27,29,54H2,1-8H3,(H,58,64);2*7-15,18,20,23,29,32H,6,16-17,19,21H2,1-5H3,(H,36,39);4-7H,8-9H2,1-3H3;1-4H;2-5H,1H3;6H,4-5H2,1-3H3;5H,3H2,1-2H3;1H;2*1H2/b;55-31+;;;;;;;5-4+;;;/t35-,41-,45+,51+;30-,37-,41+,48+;2*23-,29+,32+;;;;;;;;/m1111......../s1
• InChIKey: QJMVNUNAAVTJCG-XQUXTKSOSA-N
• XLogP: 39.41
• TPSA: 903.54 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 52
• Rotatable Bonds: 58
• Heavy Atoms: 284
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4016.84
LogP ≤ 5	39.41
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-aminoethyl)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-[(8S,11R,14S)-8-(3-cyanopropanoyl)-3-hydroxy-18-(4-iminopentoxy)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxobutanamide;tert-butyl N-[(3R)-3-[[(8S,11R,14S)-18-butoxy-8-(3-cyanopropanoyl)-3,11-dimethyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-methylcarbamoyl]-5-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-5-oxopentyl]carbamate;ethyl ethanimidate;1-methoxy-4-nitrobenzene;bis(methyl (8S,11R,14S)-3,11-dimethyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate);(4-nitrophenyl) carbonochloridate;(4-nitrophenyl) 2-trimethylsilylethyl carbonate;sulfane;2-trimethylsilylethanol;hydrochloride?

The IUPAC name of (2R)-2-(2-aminoethyl)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-[(8S,11R,14S)-8-(3-cyanopropanoyl)-3-hydroxy-18-(4-iminopentoxy)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxobutanamide;tert-butyl N-[(3R)-3-[[(8S,11R,14S)-18-butoxy-8-(3-cyanopropanoyl)-3,11-dimethyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-methylcarbamoyl]-5-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-5-oxopentyl]carbamate;ethyl ethanimidate;1-methoxy-4-nitrobenzene;bis(methyl (8S,11R,14S)-3,11-dimethyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate);(4-nitrophenyl) carbonochloridate;(4-nitrophenyl) 2-trimethylsilylethyl carbonate;sulfane;2-trimethylsilylethanol;hydrochloride (CID 160643723) is (2R)-2-(2-aminoethyl)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-[(8S,11R,14S)-8-(3-cyanopropanoyl)-3-hydroxy-18-(4-iminopentoxy)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxobutanamide;tert-butyl N-[(3R)-3-[[(8S,11R,14S)-18-butoxy-8-(3-cyanopropanoyl)-3,11-dimethyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-methylcarbamoyl]-5-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-5-oxopentyl]carbamate;ethyl ethanimidate;1-methoxy-4-nitrobenzene;bis(methyl (8S,11R,14S)-3,11-dimethyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate);(4-nitrophenyl) carbonochloridate;(4-nitrophenyl) 2-trimethylsilylethyl carbonate;sulfane;2-trimethylsilylethanol;hydrochloride.

What is the SMILES notation for (2R)-2-(2-aminoethyl)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-[(8S,11R,14S)-8-(3-cyanopropanoyl)-3-hydroxy-18-(4-iminopentoxy)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxobutanamide;tert-butyl N-[(3R)-3-[[(8S,11R,14S)-18-butoxy-8-(3-cyanopropanoyl)-3,11-dimethyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-methylcarbamoyl]-5-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-5-oxopentyl]carbamate;ethyl ethanimidate;1-methoxy-4-nitrobenzene;bis(methyl (8S,11R,14S)-3,11-dimethyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate);(4-nitrophenyl) carbonochloridate;(4-nitrophenyl) 2-trimethylsilylethyl carbonate;sulfane;2-trimethylsilylethanol;hydrochloride?

The canonical SMILES for (2R)-2-(2-aminoethyl)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-[(8S,11R,14S)-8-(3-cyanopropanoyl)-3-hydroxy-18-(4-iminopentoxy)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxobutanamide;tert-butyl N-[(3R)-3-[[(8S,11R,14S)-18-butoxy-8-(3-cyanopropanoyl)-3,11-dimethyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-methylcarbamoyl]-5-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-5-oxopentyl]carbamate;ethyl ethanimidate;1-methoxy-4-nitrobenzene;bis(methyl (8S,11R,14S)-3,11-dimethyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate);(4-nitrophenyl) carbonochloridate;(4-nitrophenyl) 2-trimethylsilylethyl carbonate;sulfane;2-trimethylsilylethanol;hydrochloride is CCCCOc1ccc2cc1-c1cc(ccc1C)C[C@@H](C(=O)CCC#N)NC(=O)[C@H](C)CC(=O)[C@H]2N(C)C(=O)[C@H](CCNC(=O)OC(C)(C)C)CC(=O)c1c(C)nc(-c2ccc(C(C)(C)C)cc2)nc1C.CCCOc1ccc2cc1-c1cc(ccc1C)C[C@@H](C(=O)OC)NC(=O)[C@H](C)CC(=O)[C@H]2N(C)C(=O)OCc1ccccc1.CCCOc1ccc2cc1-c1cc(ccc1C)C[C@@H](C(=O)OC)NC(=O)[C@H](C)CC(=O)[C@H]2N(C)C(=O)OCc1ccccc1.COc1ccc([N+](=O)[O-])cc1.C[Si](C)(C)CCO.C[Si](C)(C)CCOC(=O)Oc1ccc([N+](=O)[O-])cc1.Cl.O=C(Cl)Oc1ccc([N+](=O)[O-])cc1.S.S.[H]/N=C(\C)CCCOc1ccc2cc1-c1cc(ccc1O)C[C@@H](C(=O)CCC#N)NC(=O)[C@H](C)CC(=O)[C@H]2N(C)C(=O)[C@H](CCN)CC(=O)c1c(C)nc(-c2ccc(C(C)(C)C)cc2)nc1C.[H]/N=C(\C)OCC.

What is the InChIKey of (2R)-2-(2-aminoethyl)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-[(8S,11R,14S)-8-(3-cyanopropanoyl)-3-hydroxy-18-(4-iminopentoxy)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxobutanamide;tert-butyl N-[(3R)-3-[[(8S,11R,14S)-18-butoxy-8-(3-cyanopropanoyl)-3,11-dimethyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-methylcarbamoyl]-5-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-5-oxopentyl]carbamate;ethyl ethanimidate;1-methoxy-4-nitrobenzene;bis(methyl (8S,11R,14S)-3,11-dimethyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate);(4-nitrophenyl) carbonochloridate;(4-nitrophenyl) 2-trimethylsilylethyl carbonate;sulfane;2-trimethylsilylethanol;hydrochloride?

The InChIKey is QJMVNUNAAVTJCG-XQUXTKSOSA-N. The full InChI is InChI=1S/C57H72N6O8.C52H63N7O7.2C35H40N2O7.C12H17NO5Si.C7H4ClNO4.C7H7NO3.C5H14OSi.C4H9NO.ClH.2H2S/c1-13-14-28-70-49-24-21-40-32-44(49)43-30-38(18-17-34(43)2)31-45(46(64)16-15-26-58)62-53(67)35(3)29-48(66)51(40)63(12)54(68)41(25-27-59-55(69)71-57(9,10)11)33-47(65)50-36(4)60-52(61-37(50)5)39-19-22-42(23-20-39)56(6,7)8;1-30-25-45(63)48(59(8)51(65)37(21-23-54)29-44(62)47-32(3)56-49(57-33(47)4)35-14-17-38(18-15-35)52(5,6)7)36-16-20-46(66-24-10-11-31(2)55)40(28-36)39-26-34(13-19-42(39)60)27-41(58-50(30)64)43(61)12-9-22-53;2*1-6-16-43-31-15-14-26-20-28(31)27-18-25(13-12-22(27)2)19-29(34(40)42-5)36-33(39)23(3)17-30(38)32(26)37(4)35(41)44-21-24-10-8-7-9-11-24;1-19(2,3)9-8-17-12(14)18-11-6-4-10(5-7-11)13(15)16;8-7(10)13-6-3-1-5(2-4-6)9(11)12;1-11-7-4-2-6(3-5-7)8(9)10;1-7(2,3)5-4-6;1-3-6-4(2)5;;;/h17-24,30,32,35,41,45,51H,13-16,25,27-29,31,33H2,1-12H3,(H,59,69)(H,62,67);13-20,26,28,30,37,41,48,55,60H,9-12,21,23-25,27,29,54H2,1-8H3,(H,58,64);2*7-15,18,20,23,29,32H,6,16-17,19,21H2,1-5H3,(H,36,39);4-7H,8-9H2,1-3H3;1-4H;2-5H,1H3;6H,4-5H2,1-3H3;5H,3H2,1-2H3;1H;2*1H2/b;55-31+;;;;;;;5-4+;;;/t35-,41-,45+,51+;30-,37-,41+,48+;2*23-,29+,32+;;;;;;;;/m1111......../s1.

What are the key properties of (2R)-2-(2-aminoethyl)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-[(8S,11R,14S)-8-(3-cyanopropanoyl)-3-hydroxy-18-(4-iminopentoxy)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxobutanamide;tert-butyl N-[(3R)-3-[[(8S,11R,14S)-18-butoxy-8-(3-cyanopropanoyl)-3,11-dimethyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-methylcarbamoyl]-5-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-5-oxopentyl]carbamate;ethyl ethanimidate;1-methoxy-4-nitrobenzene;bis(methyl (8S,11R,14S)-3,11-dimethyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate);(4-nitrophenyl) carbonochloridate;(4-nitrophenyl) 2-trimethylsilylethyl carbonate;sulfane;2-trimethylsilylethanol;hydrochloride?

(2R)-2-(2-aminoethyl)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-[(8S,11R,14S)-8-(3-cyanopropanoyl)-3-hydroxy-18-(4-iminopentoxy)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxobutanamide;tert-butyl N-[(3R)-3-[[(8S,11R,14S)-18-butoxy-8-(3-cyanopropanoyl)-3,11-dimethyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-methylcarbamoyl]-5-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-5-oxopentyl]carbamate;ethyl ethanimidate;1-methoxy-4-nitrobenzene;bis(methyl (8S,11R,14S)-3,11-dimethyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate);(4-nitrophenyl) carbonochloridate;(4-nitrophenyl) 2-trimethylsilylethyl carbonate;sulfane;2-trimethylsilylethanol;hydrochloride has a molecular weight of 4016.84 g/mol, XLogP of 39.41, 58 rotatable bonds, 10 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(2-aminoethyl)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-[(8S,11R,14S)-8-(3-cyanopropanoyl)-3-hydroxy-18-(4-iminopentoxy)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxobutanamide;tert-butyl N-[(3R)-3-[[(8S,11R,14S)-18-butoxy-8-(3-cyanopropanoyl)-3,11-dimethyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-methylcarbamoyl]-5-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-5-oxopentyl]carbamate;ethyl ethanimidate;1-methoxy-4-nitrobenzene;bis(methyl (8S,11R,14S)-3,11-dimethyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate);(4-nitrophenyl) carbonochloridate;(4-nitrophenyl) 2-trimethylsilylethyl carbonate;sulfane;2-trimethylsilylethanol;hydrochloride is sourced from PubChem (CID 160643723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).