(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-(difluoromethyl)pyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-methylpyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-2-(2-aminoethyl)-N-methyl-4-[4-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidin-5-yl]-4-oxobutanamide

C150H193F2N23O30 — CID 159176421

About (2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-(difluoromethyl)pyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-methylpyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-2-(2-aminoethyl)-N-methyl-4-[4-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidin-5-yl]-4-oxobutanamide

(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-(difluoromethyl)pyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-methylpyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-2-(2-aminoethyl)-N-methyl-4-[4-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidin-5-yl]-4-oxobutanamide (PubChem CID 159176421) has the molecular formula C150H193F2N23O30 and a molecular weight of 2836.32 g/mol. Its IUPAC name is (2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-(difluoromethyl)pyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-methylpyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-2-(2-aminoethyl)-N-methyl-4-[4-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidin-5-yl]-4-oxobutanamide.

Molecular Properties

• Compound Name: (2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-(difluoromethyl)pyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-methylpyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-2-(2-aminoethyl)-N-methyl-4-[4-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidin-5-yl]-4-oxobutanamide
• PubChem CID: 159176421
• Molecular Formula: C150H193F2N23O30
• Molecular Weight: 2836.32 g/mol
• Exact Mass: 2834.43
• IUPAC Name: (2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-(difluoromethyl)pyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-methylpyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-2-(2-aminoethyl)-N-methyl-4-[4-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidin-5-yl]-4-oxobutanamide
• SMILES: CC(=O)[C@@H]1Cc2ccc(OC[C@H](O)CN)c(c2)-c2cc(cc(OC[C@H](O)CN)c2O)[C@H](N(C)C(=O)[C@H](CCN)CC(=O)c2c(C)nc(-c3ccc(C(C)(C)C)cc3)nc2N)C(=O)C[C@@H](C)C(=O)N1.CC(=O)[C@@H]1Cc2ccc(OC[C@H](O)CN)c(c2)-c2cc(cc(OC[C@H](O)CN)c2O)[C@H](N(C)C(=O)[C@H](CCN)CC(=O)c2c(N)nc(-c3ccc(C(C)(C)C)cc3)nc2C(F)F)C(=O)C[C@@H](C)C(=O)N1.CC(=O)[C@@H]1Cc2ccc(OC[C@H](O)CN)c(c2)-c2cc(cc(OC[C@H](O)CN)c2O)[C@H](N(C)C(=O)[C@H](CCN)CC(=O)c2cnc(-c3ccc(C4(C)CC4)cc3)nc2C)C(=O)C[C@@H](C)C(=O)N1
• InChI: InChI=1S/C50H64F2N8O10.C50H66N8O10.C50H63N7O10/c1-25-15-38(65)43(60(6)49(68)29(13-14-53)19-37(64)41-42(45(51)52)58-47(59-46(41)56)28-8-10-31(11-9-28)50(3,4)5)30-18-35(44(66)40(20-30)70-24-33(63)22-55)34-16-27(17-36(26(2)61)57-48(25)67)7-12-39(34)69-23-32(62)21-54;1-26-16-40(63)44(58(7)49(66)31(14-15-51)20-39(62)43-27(2)55-47(57-46(43)54)30-9-11-33(12-10-30)50(4,5)6)32-19-37(45(64)42(21-32)68-25-35(61)23-53)36-17-29(18-38(28(3)59)56-48(26)65)8-13-41(36)67-24-34(60)22-52;1-27-16-42(62)45(57(5)49(65)32(12-15-51)20-41(61)39-24-54-47(55-28(39)2)31-7-9-34(10-8-31)50(4)13-14-50)33-19-38(46(63)44(21-33)67-26-36(60)23-53)37-17-30(18-40(29(3)58)56-48(27)64)6-11-43(37)66-25-35(59)22-52/h7-12,16,18,20,25,29,32-33,36,43,45,62-63,66H,13-15,17,19,21-24,53-55H2,1-6H3,(H,57,67)(H2,56,58,59);8-13,17,19,21,26,31,34-35,38,44,60-61,64H,14-16,18,20,22-25,51-53H2,1-7H3,(H,56,65)(H2,54,55,57);6-11,17,19,21,24,27,32,35-36,40,45,59-60,63H,12-16,18,20,22-23,25-26,51-53H2,1-5H3,(H,56,64)/t25-,29-,32-,33-,36+,43+;26-,31-,34-,35-,38+,44+;27-,32-,35-,36-,40+,45+/m111/s1
• InChIKey: KMIKMWDZPNMLHC-JYPOZUANSA-N
• XLogP: 9.99
• TPSA: 902.87 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 47
• Rotatable Bonds: 53
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2836.32
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-(difluoromethyl)pyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-methylpyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-2-(2-aminoethyl)-N-methyl-4-[4-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidin-5-yl]-4-oxobutanamide?

The IUPAC name of (2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-(difluoromethyl)pyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-methylpyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-2-(2-aminoethyl)-N-methyl-4-[4-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidin-5-yl]-4-oxobutanamide (CID 159176421) is (2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-(difluoromethyl)pyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-methylpyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-2-(2-aminoethyl)-N-methyl-4-[4-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidin-5-yl]-4-oxobutanamide.

What is the SMILES notation for (2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-(difluoromethyl)pyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-methylpyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-2-(2-aminoethyl)-N-methyl-4-[4-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidin-5-yl]-4-oxobutanamide?

The canonical SMILES for (2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-(difluoromethyl)pyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-methylpyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-2-(2-aminoethyl)-N-methyl-4-[4-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidin-5-yl]-4-oxobutanamide is CC(=O)[C@@H]1Cc2ccc(OC[C@H](O)CN)c(c2)-c2cc(cc(OC[C@H](O)CN)c2O)[C@H](N(C)C(=O)[C@H](CCN)CC(=O)c2c(C)nc(-c3ccc(C(C)(C)C)cc3)nc2N)C(=O)C[C@@H](C)C(=O)N1.CC(=O)[C@@H]1Cc2ccc(OC[C@H](O)CN)c(c2)-c2cc(cc(OC[C@H](O)CN)c2O)[C@H](N(C)C(=O)[C@H](CCN)CC(=O)c2c(N)nc(-c3ccc(C(C)(C)C)cc3)nc2C(F)F)C(=O)C[C@@H](C)C(=O)N1.CC(=O)[C@@H]1Cc2ccc(OC[C@H](O)CN)c(c2)-c2cc(cc(OC[C@H](O)CN)c2O)[C@H](N(C)C(=O)[C@H](CCN)CC(=O)c2cnc(-c3ccc(C4(C)CC4)cc3)nc2C)C(=O)C[C@@H](C)C(=O)N1.

What is the InChIKey of (2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-(difluoromethyl)pyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-methylpyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-2-(2-aminoethyl)-N-methyl-4-[4-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidin-5-yl]-4-oxobutanamide?

The InChIKey is KMIKMWDZPNMLHC-JYPOZUANSA-N. The full InChI is InChI=1S/C50H64F2N8O10.C50H66N8O10.C50H63N7O10/c1-25-15-38(65)43(60(6)49(68)29(13-14-53)19-37(64)41-42(45(51)52)58-47(59-46(41)56)28-8-10-31(11-9-28)50(3,4)5)30-18-35(44(66)40(20-30)70-24-33(63)22-55)34-16-27(17-36(26(2)61)57-48(25)67)7-12-39(34)69-23-32(62)21-54;1-26-16-40(63)44(58(7)49(66)31(14-15-51)20-39(62)43-27(2)55-47(57-46(43)54)30-9-11-33(12-10-30)50(4,5)6)32-19-37(45(64)42(21-32)68-25-35(61)23-53)36-17-29(18-38(28(3)59)56-48(26)65)8-13-41(36)67-24-34(60)22-52;1-27-16-42(62)45(57(5)49(65)32(12-15-51)20-41(61)39-24-54-47(55-28(39)2)31-7-9-34(10-8-31)50(4)13-14-50)33-19-38(46(63)44(21-33)67-26-36(60)23-53)37-17-30(18-40(29(3)58)56-48(27)64)6-11-43(37)66-25-35(59)22-52/h7-12,16,18,20,25,29,32-33,36,43,45,62-63,66H,13-15,17,19,21-24,53-55H2,1-6H3,(H,57,67)(H2,56,58,59);8-13,17,19,21,26,31,34-35,38,44,60-61,64H,14-16,18,20,22-25,51-53H2,1-7H3,(H,56,65)(H2,54,55,57);6-11,17,19,21,24,27,32,35-36,40,45,59-60,63H,12-16,18,20,22-23,25-26,51-53H2,1-5H3,(H,56,64)/t25-,29-,32-,33-,36+,43+;26-,31-,34-,35-,38+,44+;27-,32-,35-,36-,40+,45+/m111/s1.

What are the key properties of (2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-(difluoromethyl)pyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-methylpyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-2-(2-aminoethyl)-N-methyl-4-[4-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidin-5-yl]-4-oxobutanamide?

(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-(difluoromethyl)pyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-methylpyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-2-(2-aminoethyl)-N-methyl-4-[4-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidin-5-yl]-4-oxobutanamide has a molecular weight of 2836.32 g/mol, XLogP of 9.99, 53 rotatable bonds, 23 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-(difluoromethyl)pyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-4-[4-amino-2-(4-tert-butylphenyl)-6-methylpyrimidin-5-yl]-2-(2-aminoethyl)-N-methyl-4-oxobutanamide;(2R)-N-[(8S,11R,14S)-8-acetyl-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-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]-2-(2-aminoethyl)-N-methyl-4-[4-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidin-5-yl]-4-oxobutanamide is sourced from PubChem (CID 159176421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).