(2R)-N-[(8S,11R,14S)-4-(2-aminoethoxy)-18-[(2R)-3-amino-2-hydroxypropoxy]-8-(3-cyanopropanoyl)-3-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)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methyl-4-oxobutanamide;methyl (8S,11R,14S)-14-[[(2R)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-oxobutanoyl]-methylamino]-3-hydroxy-18-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-18-hydroxy-11-methyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-3-phenylmethoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate

C148H180N16O30 — CID 157296401

About (2R)-N-[(8S,11R,14S)-4-(2-aminoethoxy)-18-[(2R)-3-amino-2-hydroxypropoxy]-8-(3-cyanopropanoyl)-3-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)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methyl-4-oxobutanamide;methyl (8S,11R,14S)-14-[[(2R)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-oxobutanoyl]-methylamino]-3-hydroxy-18-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-18-hydroxy-11-methyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-3-phenylmethoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate

(2R)-N-[(8S,11R,14S)-4-(2-aminoethoxy)-18-[(2R)-3-amino-2-hydroxypropoxy]-8-(3-cyanopropanoyl)-3-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)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methyl-4-oxobutanamide;methyl (8S,11R,14S)-14-[[(2R)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-oxobutanoyl]-methylamino]-3-hydroxy-18-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-18-hydroxy-11-methyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-3-phenylmethoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate (PubChem CID 157296401) has the molecular formula C148H180N16O30 and a molecular weight of 2663.15 g/mol. Its IUPAC name is (2R)-N-[(8S,11R,14S)-4-(2-aminoethoxy)-18-[(2R)-3-amino-2-hydroxypropoxy]-8-(3-cyanopropanoyl)-3-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)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methyl-4-oxobutanamide;methyl (8S,11R,14S)-14-[[(2R)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-oxobutanoyl]-methylamino]-3-hydroxy-18-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-18-hydroxy-11-methyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-3-phenylmethoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate.

Molecular Properties

• Compound Name: (2R)-N-[(8S,11R,14S)-4-(2-aminoethoxy)-18-[(2R)-3-amino-2-hydroxypropoxy]-8-(3-cyanopropanoyl)-3-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)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methyl-4-oxobutanamide;methyl (8S,11R,14S)-14-[[(2R)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-oxobutanoyl]-methylamino]-3-hydroxy-18-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-18-hydroxy-11-methyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-3-phenylmethoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate
• PubChem CID: 157296401
• Molecular Formula: C148H180N16O30
• Molecular Weight: 2663.15 g/mol
• Exact Mass: 2661.31
• IUPAC Name: (2R)-N-[(8S,11R,14S)-4-(2-aminoethoxy)-18-[(2R)-3-amino-2-hydroxypropoxy]-8-(3-cyanopropanoyl)-3-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)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methyl-4-oxobutanamide;methyl (8S,11R,14S)-14-[[(2R)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-oxobutanoyl]-methylamino]-3-hydroxy-18-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-18-hydroxy-11-methyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-3-phenylmethoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate
• SMILES: COC(=O)[C@@H]1Cc2ccc(O)c(c2)-c2cc(ccc2OC[C@H](O)CNC(=O)OC(C)(C)C)[C@H](N(C)C(=O)[C@H](CCNC(=O)OC(C)(C)C)CC(=O)c2c(C)nc(-c3ccc(C(C)(C)C)cc3)nc2C)C(=O)C[C@@H](C)C(=O)N1.COC(=O)[C@@H]1Cc2ccc(OCc3ccccc3)c(c2)-c2cc(ccc2O)[C@H](N(C)C(=O)OCc2ccccc2)C(=O)C[C@@H](C)C(=O)N1.Cc1nc(-c2ccc(C(C)(C)C)cc2)nc(C)c1C(=O)C[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)C[C@@H](C)C(=O)N[C@H](C(=O)CCC#N)Cc2cc(OCCN)c(O)c(c2)-c2cc1ccc2OC[C@H](O)CN
• InChI: InChI=1S/C58H76N6O13.C52H66N8O9.C38H38N2O8/c1-32-25-46(68)49(37-18-22-47(75-31-40(65)30-60-55(73)77-58(10,11)12)42(28-37)41-26-35(15-21-44(41)66)27-43(53(71)74-14)63-51(32)69)64(13)52(70)38(23-24-59-54(72)76-57(7,8)9)29-45(67)48-33(2)61-50(62-34(48)3)36-16-19-39(20-17-36)56(4,5)6;1-29-21-43(64)47(60(7)51(67)35(16-18-54)26-42(63)46-30(2)57-49(58-31(46)3)33-10-13-36(14-11-33)52(4,5)6)34-12-15-44(69-28-37(61)27-56)38(25-34)39-22-32(24-45(48(39)65)68-20-19-55)23-40(59-50(29)66)41(62)9-8-17-53;1-24-18-33(42)35(40(2)38(45)48-23-26-12-8-5-9-13-26)28-15-16-32(41)29(21-28)30-19-27(20-31(37(44)46-3)39-36(24)43)14-17-34(30)47-22-25-10-6-4-7-11-25/h15-22,26,28,32,38,40,43,49,65-66H,23-25,27,29-31H2,1-14H3,(H,59,72)(H,60,73)(H,63,69);10-15,22,24-25,29,35,37,40,47,61,65H,8-9,16,18-21,23,26-28,54-56H2,1-7H3,(H,59,66);4-17,19,21,24,31,35,41H,18,20,22-23H2,1-3H3,(H,39,43)/t32-,38-,40-,43+,49+;29-,35-,37-,40+,47+;24-,31+,35+/m111/s1
• InChIKey: BBJYWTDCFDIWQG-SSXMMGSUSA-N
• XLogP: 18.28
• TPSA: 680.62 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 40
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2663.15
LogP ≤ 5	18.28
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(8S,11R,14S)-4-(2-aminoethoxy)-18-[(2R)-3-amino-2-hydroxypropoxy]-8-(3-cyanopropanoyl)-3-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)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methyl-4-oxobutanamide;methyl (8S,11R,14S)-14-[[(2R)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-oxobutanoyl]-methylamino]-3-hydroxy-18-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-18-hydroxy-11-methyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-3-phenylmethoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate?

The IUPAC name of (2R)-N-[(8S,11R,14S)-4-(2-aminoethoxy)-18-[(2R)-3-amino-2-hydroxypropoxy]-8-(3-cyanopropanoyl)-3-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)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methyl-4-oxobutanamide;methyl (8S,11R,14S)-14-[[(2R)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-oxobutanoyl]-methylamino]-3-hydroxy-18-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-18-hydroxy-11-methyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-3-phenylmethoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate (CID 157296401) is (2R)-N-[(8S,11R,14S)-4-(2-aminoethoxy)-18-[(2R)-3-amino-2-hydroxypropoxy]-8-(3-cyanopropanoyl)-3-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)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methyl-4-oxobutanamide;methyl (8S,11R,14S)-14-[[(2R)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-oxobutanoyl]-methylamino]-3-hydroxy-18-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-18-hydroxy-11-methyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-3-phenylmethoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate.

What is the SMILES notation for (2R)-N-[(8S,11R,14S)-4-(2-aminoethoxy)-18-[(2R)-3-amino-2-hydroxypropoxy]-8-(3-cyanopropanoyl)-3-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)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methyl-4-oxobutanamide;methyl (8S,11R,14S)-14-[[(2R)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-oxobutanoyl]-methylamino]-3-hydroxy-18-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-18-hydroxy-11-methyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-3-phenylmethoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate?

The canonical SMILES for (2R)-N-[(8S,11R,14S)-4-(2-aminoethoxy)-18-[(2R)-3-amino-2-hydroxypropoxy]-8-(3-cyanopropanoyl)-3-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)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methyl-4-oxobutanamide;methyl (8S,11R,14S)-14-[[(2R)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-oxobutanoyl]-methylamino]-3-hydroxy-18-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-18-hydroxy-11-methyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-3-phenylmethoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate is COC(=O)[C@@H]1Cc2ccc(O)c(c2)-c2cc(ccc2OC[C@H](O)CNC(=O)OC(C)(C)C)[C@H](N(C)C(=O)[C@H](CCNC(=O)OC(C)(C)C)CC(=O)c2c(C)nc(-c3ccc(C(C)(C)C)cc3)nc2C)C(=O)C[C@@H](C)C(=O)N1.COC(=O)[C@@H]1Cc2ccc(OCc3ccccc3)c(c2)-c2cc(ccc2O)[C@H](N(C)C(=O)OCc2ccccc2)C(=O)C[C@@H](C)C(=O)N1.Cc1nc(-c2ccc(C(C)(C)C)cc2)nc(C)c1C(=O)C[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)C[C@@H](C)C(=O)N[C@H](C(=O)CCC#N)Cc2cc(OCCN)c(O)c(c2)-c2cc1ccc2OC[C@H](O)CN.

What is the InChIKey of (2R)-N-[(8S,11R,14S)-4-(2-aminoethoxy)-18-[(2R)-3-amino-2-hydroxypropoxy]-8-(3-cyanopropanoyl)-3-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)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methyl-4-oxobutanamide;methyl (8S,11R,14S)-14-[[(2R)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-oxobutanoyl]-methylamino]-3-hydroxy-18-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-18-hydroxy-11-methyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-3-phenylmethoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate?

The InChIKey is BBJYWTDCFDIWQG-SSXMMGSUSA-N. The full InChI is InChI=1S/C58H76N6O13.C52H66N8O9.C38H38N2O8/c1-32-25-46(68)49(37-18-22-47(75-31-40(65)30-60-55(73)77-58(10,11)12)42(28-37)41-26-35(15-21-44(41)66)27-43(53(71)74-14)63-51(32)69)64(13)52(70)38(23-24-59-54(72)76-57(7,8)9)29-45(67)48-33(2)61-50(62-34(48)3)36-16-19-39(20-17-36)56(4,5)6;1-29-21-43(64)47(60(7)51(67)35(16-18-54)26-42(63)46-30(2)57-49(58-31(46)3)33-10-13-36(14-11-33)52(4,5)6)34-12-15-44(69-28-37(61)27-56)38(25-34)39-22-32(24-45(48(39)65)68-20-19-55)23-40(59-50(29)66)41(62)9-8-17-53;1-24-18-33(42)35(40(2)38(45)48-23-26-12-8-5-9-13-26)28-15-16-32(41)29(21-28)30-19-27(20-31(37(44)46-3)39-36(24)43)14-17-34(30)47-22-25-10-6-4-7-11-25/h15-22,26,28,32,38,40,43,49,65-66H,23-25,27,29-31H2,1-14H3,(H,59,72)(H,60,73)(H,63,69);10-15,22,24-25,29,35,37,40,47,61,65H,8-9,16,18-21,23,26-28,54-56H2,1-7H3,(H,59,66);4-17,19,21,24,31,35,41H,18,20,22-23H2,1-3H3,(H,39,43)/t32-,38-,40-,43+,49+;29-,35-,37-,40+,47+;24-,31+,35+/m111/s1.

What are the key properties of (2R)-N-[(8S,11R,14S)-4-(2-aminoethoxy)-18-[(2R)-3-amino-2-hydroxypropoxy]-8-(3-cyanopropanoyl)-3-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)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methyl-4-oxobutanamide;methyl (8S,11R,14S)-14-[[(2R)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-oxobutanoyl]-methylamino]-3-hydroxy-18-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-18-hydroxy-11-methyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-3-phenylmethoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate?

(2R)-N-[(8S,11R,14S)-4-(2-aminoethoxy)-18-[(2R)-3-amino-2-hydroxypropoxy]-8-(3-cyanopropanoyl)-3-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)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methyl-4-oxobutanamide;methyl (8S,11R,14S)-14-[[(2R)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-oxobutanoyl]-methylamino]-3-hydroxy-18-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-18-hydroxy-11-methyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-3-phenylmethoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate has a molecular weight of 2663.15 g/mol, XLogP of 18.28, 40 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(8S,11R,14S)-4-(2-aminoethoxy)-18-[(2R)-3-amino-2-hydroxypropoxy]-8-(3-cyanopropanoyl)-3-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)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methyl-4-oxobutanamide;methyl (8S,11R,14S)-14-[[(2R)-4-[2-(4-tert-butylphenyl)-4,6-dimethylpyrimidin-5-yl]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-oxobutanoyl]-methylamino]-3-hydroxy-18-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-18-hydroxy-11-methyl-14-[methyl(phenylmethoxycarbonyl)amino]-10,13-dioxo-3-phenylmethoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate is sourced from PubChem (CID 157296401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).