(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-ethylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15R,22S)-15-methyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide

C165H202F8N24O33 — CID 161127478

About (2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-ethylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15R,22S)-15-methyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide

(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-ethylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15R,22S)-15-methyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide (PubChem CID 161127478) has the molecular formula C165H202F8N24O33 and a molecular weight of 3201.55 g/mol. Its IUPAC name is (2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-ethylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15R,22S)-15-methyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide.

Molecular Properties

• Compound Name: (2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-ethylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15R,22S)-15-methyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide
• PubChem CID: 161127478
• Molecular Formula: C165H202F8N24O33
• Molecular Weight: 3201.55 g/mol
• Exact Mass: 3199.47
• IUPAC Name: (2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-ethylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15R,22S)-15-methyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide
• SMILES: CCc1ccc(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1.C[C@@H]1C[C@H]2C(=O)OC[C@H](NC(=O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cc3ccc(OC(C)(F)F)cc3)C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N2C1.Cc1ccc(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1.Cc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)CNC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1
• InChI: InChI=1S/C42H50F4N6O9.C42H52F2N6O8.C41H50F2N6O8.C40H50N6O8/c1-23-15-34-41(59)60-22-31(39(57)51-14-6-8-33(51)40(58)50-13-5-4-7-32(50)37(55)47-24(2)38(56)52(34)21-23)49-36(54)30(18-26-16-27(43)20-28(44)17-26)48-35(53)19-25-9-11-29(12-10-25)61-42(3,45)46;1-4-26-10-12-27(13-11-26)20-36(51)46-31(19-28-17-29(43)21-30(44)18-28)37(52)47-32-23-58-42(57)35-16-24(2)22-50(35)39(54)25(3)45-38(53)33-8-5-6-14-48(33)41(56)34-9-7-15-49(34)40(32)55;1-23-9-11-26(12-10-23)19-35(50)45-30(18-27-16-28(42)20-29(43)17-27)36(51)46-31-22-57-41(56)34-15-24(2)21-49(34)38(53)25(3)44-37(52)32-7-4-5-13-47(32)40(55)33-8-6-14-48(33)39(31)54;1-25-13-15-28(16-14-25)21-34(47)42-29(20-27-9-4-3-5-10-27)36(49)43-30-24-54-40(53)33-19-26(2)23-46(33)35(48)22-41-37(50)31-11-6-7-17-44(31)39(52)32-12-8-18-45(32)38(30)51/h9-12,16-17,20,23-24,30-34H,4-8,13-15,18-19,21-22H2,1-3H3,(H,47,55)(H,48,53)(H,49,54);10-13,17-18,21,24-25,31-35H,4-9,14-16,19-20,22-23H2,1-3H3,(H,45,53)(H,46,51)(H,47,52);9-12,16-17,20,24-25,30-34H,4-8,13-15,18-19,21-22H2,1-3H3,(H,44,52)(H,45,50)(H,46,51);3-5,9-10,13-16,26,29-33H,6-8,11-12,17-24H2,1-2H3,(H,41,50)(H,42,47)(H,43,49)/t23-,24+,30+,31+,32+,33+,34+;24-,25+,31+,32+,33+,34+,35+;24-,25+,30+,31+,32+,33+,34+;26-,29+,30+,31+,32+,33+/m1111/s1
• InChIKey: ULTCJBPVJBDWKZ-XAWWCCAMSA-N
• XLogP: 7.06
• TPSA: 707.35 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3201.55
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-ethylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15R,22S)-15-methyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide?

The IUPAC name of (2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-ethylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15R,22S)-15-methyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide (CID 161127478) is (2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-ethylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15R,22S)-15-methyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide.

What is the SMILES notation for (2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-ethylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15R,22S)-15-methyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide?

The canonical SMILES for (2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-ethylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15R,22S)-15-methyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide is CCc1ccc(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1.C[C@@H]1C[C@H]2C(=O)OC[C@H](NC(=O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cc3ccc(OC(C)(F)F)cc3)C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N2C1.Cc1ccc(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1.Cc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)CNC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1.

What is the InChIKey of (2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-ethylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15R,22S)-15-methyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide?

The InChIKey is ULTCJBPVJBDWKZ-XAWWCCAMSA-N. The full InChI is InChI=1S/C42H50F4N6O9.C42H52F2N6O8.C41H50F2N6O8.C40H50N6O8/c1-23-15-34-41(59)60-22-31(39(57)51-14-6-8-33(51)40(58)50-13-5-4-7-32(50)37(55)47-24(2)38(56)52(34)21-23)49-36(54)30(18-26-16-27(43)20-28(44)17-26)48-35(53)19-25-9-11-29(12-10-25)61-42(3,45)46;1-4-26-10-12-27(13-11-26)20-36(51)46-31(19-28-17-29(43)21-30(44)18-28)37(52)47-32-23-58-42(57)35-16-24(2)22-50(35)39(54)25(3)45-38(53)33-8-5-6-14-48(33)41(56)34-9-7-15-49(34)40(32)55;1-23-9-11-26(12-10-23)19-35(50)45-30(18-27-16-28(42)20-29(43)17-27)36(51)46-31-22-57-41(56)34-15-24(2)21-49(34)38(53)25(3)44-37(52)32-7-4-5-13-47(32)40(55)33-8-6-14-48(33)39(31)54;1-25-13-15-28(16-14-25)21-34(47)42-29(20-27-9-4-3-5-10-27)36(49)43-30-24-54-40(53)33-19-26(2)23-46(33)35(48)22-41-37(50)31-11-6-7-17-44(31)39(52)32-12-8-18-45(32)38(30)51/h9-12,16-17,20,23-24,30-34H,4-8,13-15,18-19,21-22H2,1-3H3,(H,47,55)(H,48,53)(H,49,54);10-13,17-18,21,24-25,31-35H,4-9,14-16,19-20,22-23H2,1-3H3,(H,45,53)(H,46,51)(H,47,52);9-12,16-17,20,24-25,30-34H,4-8,13-15,18-19,21-22H2,1-3H3,(H,44,52)(H,45,50)(H,46,51);3-5,9-10,13-16,26,29-33H,6-8,11-12,17-24H2,1-2H3,(H,41,50)(H,42,47)(H,43,49)/t23-,24+,30+,31+,32+,33+,34+;24-,25+,31+,32+,33+,34+,35+;24-,25+,30+,31+,32+,33+,34+;26-,29+,30+,31+,32+,33+/m1111/s1.

What are the key properties of (2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-ethylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15R,22S)-15-methyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide?

(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-ethylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15R,22S)-15-methyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide has a molecular weight of 3201.55 g/mol, XLogP of 7.06, 31 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-ethylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15R,22S)-15-methyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 161127478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).