(2S)-N-[(2S,5S)-9-(4-acetylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-N-[(2S,5S)-9-(2-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-(3-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-[4-(1,1-difluoroethoxy)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-10-(3,4-dihydro-1H-isoquinolin-2-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-(4-methylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-[3-(4-methylpiperazin-1-yl)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)-N-[(2S,5S)-3,6,7,10-tetraoxo-5-propan-2-yl-10-(4-propan-2-ylpiperazin-1-yl)decan-2-yl]butanamide

C281H360Cl2F2N16O44 — CID 158708725

About (2S)-N-[(2S,5S)-9-(4-acetylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-N-[(2S,5S)-9-(2-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-(3-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-[4-(1,1-difluoroethoxy)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-10-(3,4-dihydro-1H-isoquinolin-2-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-(4-methylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-[3-(4-methylpiperazin-1-yl)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)-N-[(2S,5S)-3,6,7,10-tetraoxo-5-propan-2-yl-10-(4-propan-2-ylpiperazin-1-yl)decan-2-yl]butanamide

(2S)-N-[(2S,5S)-9-(4-acetylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-N-[(2S,5S)-9-(2-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-(3-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-[4-(1,1-difluoroethoxy)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-10-(3,4-dihydro-1H-isoquinolin-2-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-(4-methylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-[3-(4-methylpiperazin-1-yl)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)-N-[(2S,5S)-3,6,7,10-tetraoxo-5-propan-2-yl-10-(4-propan-2-ylpiperazin-1-yl)decan-2-yl]butanamide (PubChem CID 158708725) has the molecular formula C281H360Cl2F2N16O44 and a molecular weight of 4774.94 g/mol. Its IUPAC name is (2S)-N-[(2S,5S)-9-(4-acetylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-N-[(2S,5S)-9-(2-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-(3-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-[4-(1,1-difluoroethoxy)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-10-(3,4-dihydro-1H-isoquinolin-2-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-(4-methylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-[3-(4-methylpiperazin-1-yl)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)-N-[(2S,5S)-3,6,7,10-tetraoxo-5-propan-2-yl-10-(4-propan-2-ylpiperazin-1-yl)decan-2-yl]butanamide.

Molecular Properties

• Compound Name: (2S)-N-[(2S,5S)-9-(4-acetylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-N-[(2S,5S)-9-(2-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-(3-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-[4-(1,1-difluoroethoxy)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-10-(3,4-dihydro-1H-isoquinolin-2-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-(4-methylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-[3-(4-methylpiperazin-1-yl)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)-N-[(2S,5S)-3,6,7,10-tetraoxo-5-propan-2-yl-10-(4-propan-2-ylpiperazin-1-yl)decan-2-yl]butanamide
• PubChem CID: 158708725
• Molecular Formula: C281H360Cl2F2N16O44
• Molecular Weight: 4774.94 g/mol
• Exact Mass: 4770.58
• IUPAC Name: (2S)-N-[(2S,5S)-9-(4-acetylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-N-[(2S,5S)-9-(2-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-(3-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-[4-(1,1-difluoroethoxy)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-10-(3,4-dihydro-1H-isoquinolin-2-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-(4-methylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-[3-(4-methylpiperazin-1-yl)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)-N-[(2S,5S)-3,6,7,10-tetraoxo-5-propan-2-yl-10-(4-propan-2-ylpiperazin-1-yl)decan-2-yl]butanamide
• SMILES: CC(=O)c1ccc(CCC(=O)C(=O)[C@@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c2ccnc3ccccc23)C(C)(C)C)C(C)C)cc1.CC(C)C(CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)CCc1ccc(OC(C)(F)F)cc1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)C(CC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)CCc1cccc(Cl)c1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)C(CC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)CCc1cccc(N2CCN(C)CC2)c1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)CCc1ccccc1Cl.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccnc2ccccc12)C(C)(C)C)C(=O)C(=O)CCC(=O)N1CCN(C(C)C)CC1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccnc2ccccc12)C(C)(C)C)C(=O)C(=O)CCC(=O)N1CCc2ccccc2C1.Cc1ccc(CCC(=O)C(=O)[C@@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c2ccccc2)C(C)(C)C)C(C)C)cc1
• InChI: InChI=1S/C39H47N3O6.C37H52N4O6.C37H51N3O5.C37H44N2O6.C34H43F2NO6.C33H43NO5.2C32H40ClNO5/c1-24(2)30(37(47)33(43)15-16-36(46)42-20-18-26-11-7-8-12-27(26)23-42)21-34(44)25(3)41-38(48)31(39(4,5)6)22-35(45)29-17-19-40-32-14-10-9-13-28(29)32;1-23(2)28(35(46)31(42)13-14-34(45)41-19-17-40(18-20-41)24(3)4)21-32(43)25(5)39-36(47)29(37(6,7)8)22-33(44)27-15-16-38-30-12-10-9-11-26(27)30;1-25(2)30(35(44)32(41)17-16-27-12-11-15-29(22-27)40-20-18-39(7)19-21-40)23-33(42)26(3)38-36(45)31(37(4,5)6)24-34(43)28-13-9-8-10-14-28;1-22(2)29(35(44)32(41)17-14-25-12-15-26(16-13-25)24(4)40)20-33(42)23(3)39-36(45)30(37(5,6)7)21-34(43)28-18-19-38-31-11-9-8-10-27(28)31;1-21(2)26(31(41)28(38)18-15-23-13-16-25(17-14-23)43-34(7,35)36)19-29(39)22(3)37-32(42)27(33(4,5)6)20-30(40)24-11-9-8-10-12-24;1-21(2)26(31(38)28(35)18-17-24-15-13-22(3)14-16-24)19-29(36)23(4)34-32(39)27(33(5,6)7)20-30(37)25-11-9-8-10-12-25;1-20(2)24(30(38)27(35)17-16-22-12-10-11-15-26(22)33)18-28(36)21(3)34-31(39)25(32(4,5)6)19-29(37)23-13-8-7-9-14-23;1-20(2)25(30(38)27(35)16-15-22-11-10-14-24(33)17-22)18-28(36)21(3)34-31(39)26(32(4,5)6)19-29(37)23-12-8-7-9-13-23/h7-14,17,19,24-25,30-31H,15-16,18,20-23H2,1-6H3,(H,41,48);9-12,15-16,23-25,28-29H,13-14,17-22H2,1-8H3,(H,39,47);8-15,22,25-26,30-31H,16-21,23-24H2,1-7H3,(H,38,45);8-13,15-16,18-19,22-23,29-30H,14,17,20-21H2,1-7H3,(H,39,45);8-14,16-17,21-22,26-27H,15,18-20H2,1-7H3,(H,37,42);8-16,21,23,26-27H,17-20H2,1-7H3,(H,34,39);7-15,20-21,24-25H,16-19H2,1-6H3,(H,34,39);7-14,17,20-21,25-26H,15-16,18-19H2,1-6H3,(H,34,39)/t25-,30-,31+;25-,28-,29+;26-,30-,31?;23-,29-,30+;22-,26?,27+;23-,26-,27+;21-,24-,25+;21-,25-,26?/m00000000/s1
• InChIKey: IILIJJKFARESHC-UEDWRLCMSA-N
• XLogP: 46.07
• TPSA: 894.35 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 50
• Rotatable Bonds: 117
• Heavy Atoms: 345
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4774.94
LogP ≤ 5	46.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S,5S)-9-(4-acetylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-N-[(2S,5S)-9-(2-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-(3-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-[4-(1,1-difluoroethoxy)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-10-(3,4-dihydro-1H-isoquinolin-2-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-(4-methylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-[3-(4-methylpiperazin-1-yl)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)-N-[(2S,5S)-3,6,7,10-tetraoxo-5-propan-2-yl-10-(4-propan-2-ylpiperazin-1-yl)decan-2-yl]butanamide?

The IUPAC name of (2S)-N-[(2S,5S)-9-(4-acetylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-N-[(2S,5S)-9-(2-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-(3-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-[4-(1,1-difluoroethoxy)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-10-(3,4-dihydro-1H-isoquinolin-2-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-(4-methylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-[3-(4-methylpiperazin-1-yl)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)-N-[(2S,5S)-3,6,7,10-tetraoxo-5-propan-2-yl-10-(4-propan-2-ylpiperazin-1-yl)decan-2-yl]butanamide (CID 158708725) is (2S)-N-[(2S,5S)-9-(4-acetylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-N-[(2S,5S)-9-(2-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-(3-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-[4-(1,1-difluoroethoxy)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-10-(3,4-dihydro-1H-isoquinolin-2-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-(4-methylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-[3-(4-methylpiperazin-1-yl)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)-N-[(2S,5S)-3,6,7,10-tetraoxo-5-propan-2-yl-10-(4-propan-2-ylpiperazin-1-yl)decan-2-yl]butanamide.

What is the SMILES notation for (2S)-N-[(2S,5S)-9-(4-acetylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-N-[(2S,5S)-9-(2-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-(3-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-[4-(1,1-difluoroethoxy)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-10-(3,4-dihydro-1H-isoquinolin-2-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-(4-methylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-[3-(4-methylpiperazin-1-yl)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)-N-[(2S,5S)-3,6,7,10-tetraoxo-5-propan-2-yl-10-(4-propan-2-ylpiperazin-1-yl)decan-2-yl]butanamide?

The canonical SMILES for (2S)-N-[(2S,5S)-9-(4-acetylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-N-[(2S,5S)-9-(2-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-(3-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-[4-(1,1-difluoroethoxy)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-10-(3,4-dihydro-1H-isoquinolin-2-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-(4-methylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-[3-(4-methylpiperazin-1-yl)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)-N-[(2S,5S)-3,6,7,10-tetraoxo-5-propan-2-yl-10-(4-propan-2-ylpiperazin-1-yl)decan-2-yl]butanamide is CC(=O)c1ccc(CCC(=O)C(=O)[C@@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c2ccnc3ccccc23)C(C)(C)C)C(C)C)cc1.CC(C)C(CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)CCc1ccc(OC(C)(F)F)cc1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)C(CC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)CCc1cccc(Cl)c1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)C(CC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)CCc1cccc(N2CCN(C)CC2)c1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)CCc1ccccc1Cl.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccnc2ccccc12)C(C)(C)C)C(=O)C(=O)CCC(=O)N1CCN(C(C)C)CC1.CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccnc2ccccc12)C(C)(C)C)C(=O)C(=O)CCC(=O)N1CCc2ccccc2C1.Cc1ccc(CCC(=O)C(=O)[C@@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c2ccccc2)C(C)(C)C)C(C)C)cc1.

What is the InChIKey of (2S)-N-[(2S,5S)-9-(4-acetylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-N-[(2S,5S)-9-(2-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-(3-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-[4-(1,1-difluoroethoxy)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-10-(3,4-dihydro-1H-isoquinolin-2-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-(4-methylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-[3-(4-methylpiperazin-1-yl)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)-N-[(2S,5S)-3,6,7,10-tetraoxo-5-propan-2-yl-10-(4-propan-2-ylpiperazin-1-yl)decan-2-yl]butanamide?

The InChIKey is IILIJJKFARESHC-UEDWRLCMSA-N. The full InChI is InChI=1S/C39H47N3O6.C37H52N4O6.C37H51N3O5.C37H44N2O6.C34H43F2NO6.C33H43NO5.2C32H40ClNO5/c1-24(2)30(37(47)33(43)15-16-36(46)42-20-18-26-11-7-8-12-27(26)23-42)21-34(44)25(3)41-38(48)31(39(4,5)6)22-35(45)29-17-19-40-32-14-10-9-13-28(29)32;1-23(2)28(35(46)31(42)13-14-34(45)41-19-17-40(18-20-41)24(3)4)21-32(43)25(5)39-36(47)29(37(6,7)8)22-33(44)27-15-16-38-30-12-10-9-11-26(27)30;1-25(2)30(35(44)32(41)17-16-27-12-11-15-29(22-27)40-20-18-39(7)19-21-40)23-33(42)26(3)38-36(45)31(37(4,5)6)24-34(43)28-13-9-8-10-14-28;1-22(2)29(35(44)32(41)17-14-25-12-15-26(16-13-25)24(4)40)20-33(42)23(3)39-36(45)30(37(5,6)7)21-34(43)28-18-19-38-31-11-9-8-10-27(28)31;1-21(2)26(31(41)28(38)18-15-23-13-16-25(17-14-23)43-34(7,35)36)19-29(39)22(3)37-32(42)27(33(4,5)6)20-30(40)24-11-9-8-10-12-24;1-21(2)26(31(38)28(35)18-17-24-15-13-22(3)14-16-24)19-29(36)23(4)34-32(39)27(33(5,6)7)20-30(37)25-11-9-8-10-12-25;1-20(2)24(30(38)27(35)17-16-22-12-10-11-15-26(22)33)18-28(36)21(3)34-31(39)25(32(4,5)6)19-29(37)23-13-8-7-9-14-23;1-20(2)25(30(38)27(35)16-15-22-11-10-14-24(33)17-22)18-28(36)21(3)34-31(39)26(32(4,5)6)19-29(37)23-12-8-7-9-13-23/h7-14,17,19,24-25,30-31H,15-16,18,20-23H2,1-6H3,(H,41,48);9-12,15-16,23-25,28-29H,13-14,17-22H2,1-8H3,(H,39,47);8-15,22,25-26,30-31H,16-21,23-24H2,1-7H3,(H,38,45);8-13,15-16,18-19,22-23,29-30H,14,17,20-21H2,1-7H3,(H,39,45);8-14,16-17,21-22,26-27H,15,18-20H2,1-7H3,(H,37,42);8-16,21,23,26-27H,17-20H2,1-7H3,(H,34,39);7-15,20-21,24-25H,16-19H2,1-6H3,(H,34,39);7-14,17,20-21,25-26H,15-16,18-19H2,1-6H3,(H,34,39)/t25-,30-,31+;25-,28-,29+;26-,30-,31?;23-,29-,30+;22-,26?,27+;23-,26-,27+;21-,24-,25+;21-,25-,26?/m00000000/s1.

What are the key properties of (2S)-N-[(2S,5S)-9-(4-acetylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-N-[(2S,5S)-9-(2-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-(3-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-[4-(1,1-difluoroethoxy)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-10-(3,4-dihydro-1H-isoquinolin-2-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-(4-methylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-[3-(4-methylpiperazin-1-yl)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)-N-[(2S,5S)-3,6,7,10-tetraoxo-5-propan-2-yl-10-(4-propan-2-ylpiperazin-1-yl)decan-2-yl]butanamide?

(2S)-N-[(2S,5S)-9-(4-acetylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-N-[(2S,5S)-9-(2-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-(3-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-[4-(1,1-difluoroethoxy)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-10-(3,4-dihydro-1H-isoquinolin-2-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-(4-methylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-[3-(4-methylpiperazin-1-yl)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)-N-[(2S,5S)-3,6,7,10-tetraoxo-5-propan-2-yl-10-(4-propan-2-ylpiperazin-1-yl)decan-2-yl]butanamide has a molecular weight of 4774.94 g/mol, XLogP of 46.07, 117 rotatable bonds, 8 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(2S,5S)-9-(4-acetylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-N-[(2S,5S)-9-(2-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-(3-chlorophenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-9-[4-(1,1-difluoroethoxy)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-3,3-dimethyl-2-phenacylbutanamide;(2S)-N-[(2S,5S)-10-(3,4-dihydro-1H-isoquinolin-2-yl)-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)butanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-(4-methylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-N-[(2S,5S)-9-[3-(4-methylpiperazin-1-yl)phenyl]-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-2-phenacylbutanamide;(2S)-3,3-dimethyl-2-(2-oxo-2-quinolin-4-ylethyl)-N-[(2S,5S)-3,6,7,10-tetraoxo-5-propan-2-yl-10-(4-propan-2-ylpiperazin-1-yl)decan-2-yl]butanamide is sourced from PubChem (CID 158708725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).