(2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide

C164H195F9N24O42 — CID 157209904

About (2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide

(2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide (PubChem CID 157209904) has the molecular formula C164H195F9N24O42 and a molecular weight of 3345.47 g/mol. Its IUPAC name is (2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide.

Molecular Properties

• Compound Name: (2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide
• PubChem CID: 157209904
• Molecular Formula: C164H195F9N24O42
• Molecular Weight: 3345.47 g/mol
• Exact Mass: 3343.37
• IUPAC Name: (2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide
• SMILES: C[C@@H]1C[C@H]2C(=O)OC[C@H](NC(=O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cc3ccc4c(c3)OCC4)C(=O)N3C[C@H](O)C[C@H]3C(=O)N3CCOC[C@H]3C(=O)N[C@@H](C)C(=O)N2C1.C[C@@H]1C[C@H]2C(=O)O[C@@H](C)[C@H](NC(=O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cc3ccc4c(c3)OCC4)C(=O)N3C[C@H](O)C[C@H]3C(=O)N3CCOC[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]2C(=O)N3C[C@H](O)C[C@H]3C(=O)N3CCOC[C@H]3C(=O)N[C@@H](C)C(=O)N3C[C@H](C)C[C@H]3C(=O)O[C@H]2C)c(F)c1.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]3COCCN3C(=O)[C@@H]3C[C@@H](O)CN3C2=O)cc1
• InChI: InChI=1S/C42H50F2N6O11.C41H49F3N6O10.C41H48F2N6O11.C40H48F2N6O10/c1-21-10-32-42(58)61-23(3)36(41(57)50-19-29(51)17-31(50)40(56)48-7-9-59-20-33(48)38(54)45-22(2)39(55)49(32)18-21)47-37(53)30(13-25-11-27(43)16-28(44)12-25)46-35(52)15-24-4-5-26-6-8-60-34(26)14-24;1-20-5-6-25(29(44)9-20)14-34(52)46-30(13-24-11-26(42)15-27(43)12-24)36(53)47-35-23(4)60-41(58)32-10-21(2)17-49(32)38(55)22(3)45-37(54)33-19-59-8-7-48(33)39(56)31-16-28(51)18-50(31)40(35)57;1-21-9-32-41(57)60-19-30(39(55)49-18-28(50)16-31(49)40(56)47-6-8-58-20-33(47)37(53)44-22(2)38(54)48(32)17-21)46-36(52)29(12-24-10-26(42)15-27(43)11-24)45-35(51)14-23-3-4-25-5-7-59-34(25)13-23;1-21-4-6-24(7-5-21)14-34(50)44-29(13-25-11-26(41)15-27(42)12-25)35(51)45-30-19-58-40(56)32-10-22(2)17-47(32)37(53)23(3)43-36(52)33-20-57-9-8-46(33)39(55)31-16-28(49)18-48(31)38(30)54/h4-5,11-12,14,16,21-23,29-33,36,51H,6-10,13,15,17-20H2,1-3H3,(H,45,54)(H,46,52)(H,47,53);5-6,9,11-12,15,21-23,28,30-33,35,51H,7-8,10,13-14,16-19H2,1-4H3,(H,45,54)(H,46,52)(H,47,53);3-4,10-11,13,15,21-22,28-33,50H,5-9,12,14,16-20H2,1-2H3,(H,44,53)(H,45,51)(H,46,52);4-7,11-12,15,22-23,28-33,49H,8-10,13-14,16-20H2,1-3H3,(H,43,52)(H,44,50)(H,45,51)/t21-,22+,23+,29-,30+,31+,32+,33+,36+;21-,22+,23+,28-,30+,31+,32+,33+,35+;21-,22+,28-,29+,30+,31+,32+,33+;22-,23+,28-,29+,30+,31+,32+,33+/m1111/s1
• InChIKey: ARTSJVFHBXXFSD-DSJXJWLJSA-N
• XLogP: -1.77
• TPSA: 834.42 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 42
• Rotatable Bonds: 28
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3345.47
LogP ≤ 5	-1.77
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide?

The IUPAC name of (2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide (CID 157209904) is (2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide.

What is the SMILES notation for (2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide?

The canonical SMILES for (2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide is C[C@@H]1C[C@H]2C(=O)OC[C@H](NC(=O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cc3ccc4c(c3)OCC4)C(=O)N3C[C@H](O)C[C@H]3C(=O)N3CCOC[C@H]3C(=O)N[C@@H](C)C(=O)N2C1.C[C@@H]1C[C@H]2C(=O)O[C@@H](C)[C@H](NC(=O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cc3ccc4c(c3)OCC4)C(=O)N3C[C@H](O)C[C@H]3C(=O)N3CCOC[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]2C(=O)N3C[C@H](O)C[C@H]3C(=O)N3CCOC[C@H]3C(=O)N[C@@H](C)C(=O)N3C[C@H](C)C[C@H]3C(=O)O[C@H]2C)c(F)c1.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]3COCCN3C(=O)[C@@H]3C[C@@H](O)CN3C2=O)cc1.

What is the InChIKey of (2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide?

The InChIKey is ARTSJVFHBXXFSD-DSJXJWLJSA-N. The full InChI is InChI=1S/C42H50F2N6O11.C41H49F3N6O10.C41H48F2N6O11.C40H48F2N6O10/c1-21-10-32-42(58)61-23(3)36(41(57)50-19-29(51)17-31(50)40(56)48-7-9-59-20-33(48)38(54)45-22(2)39(55)49(32)18-21)47-37(53)30(13-25-11-27(43)16-28(44)12-25)46-35(52)15-24-4-5-26-6-8-60-34(26)14-24;1-20-5-6-25(29(44)9-20)14-34(52)46-30(13-24-11-26(42)15-27(43)12-24)36(53)47-35-23(4)60-41(58)32-10-21(2)17-49(32)38(55)22(3)45-37(54)33-19-59-8-7-48(33)39(56)31-16-28(51)18-50(31)40(35)57;1-21-9-32-41(57)60-19-30(39(55)49-18-28(50)16-31(49)40(56)47-6-8-58-20-33(47)37(53)44-22(2)38(54)48(32)17-21)46-36(52)29(12-24-10-26(42)15-27(43)11-24)45-35(51)14-23-3-4-25-5-7-59-34(25)13-23;1-21-4-6-24(7-5-21)14-34(50)44-29(13-25-11-26(41)15-27(42)12-25)35(51)45-30-19-58-40(56)32-10-22(2)17-47(32)37(53)23(3)43-36(52)33-20-57-9-8-46(33)39(55)31-16-28(49)18-48(31)38(30)54/h4-5,11-12,14,16,21-23,29-33,36,51H,6-10,13,15,17-20H2,1-3H3,(H,45,54)(H,46,52)(H,47,53);5-6,9,11-12,15,21-23,28,30-33,35,51H,7-8,10,13-14,16-19H2,1-4H3,(H,45,54)(H,46,52)(H,47,53);3-4,10-11,13,15,21-22,28-33,50H,5-9,12,14,16-20H2,1-2H3,(H,44,53)(H,45,51)(H,46,52);4-7,11-12,15,22-23,28-33,49H,8-10,13-14,16-20H2,1-3H3,(H,43,52)(H,44,50)(H,45,51)/t21-,22+,23+,29-,30+,31+,32+,33+,36+;21-,22+,23+,28-,30+,31+,32+,33+,35+;21-,22+,28-,29+,30+,31+,32+,33+;22-,23+,28-,29+,30+,31+,32+,33+/m1111/s1.

What are the key properties of (2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide?

(2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide has a molecular weight of 3345.47 g/mol, XLogP of -1.77, 28 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2,3-dihydro-1-benzofuran-6-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,5R,9S,13S,15R,19S,22S)-5-hydroxy-15,19-dimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide is sourced from PubChem (CID 157209904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).