(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,4S,9S,13S,16S,19S,21R)-21-hydroxy-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide

C200H250F10N30O41 — CID 159508866

About (2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,4S,9S,13S,16S,19S,21R)-21-hydroxy-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide

(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,4S,9S,13S,16S,19S,21R)-21-hydroxy-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide (PubChem CID 159508866) has the molecular formula C200H250F10N30O41 and a molecular weight of 3920.35 g/mol. Its IUPAC name is (2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,4S,9S,13S,16S,19S,21R)-21-hydroxy-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,4S,9S,13S,16S,19S,21R)-21-hydroxy-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide
• PubChem CID: 159508866
• Molecular Formula: C200H250F10N30O41
• Molecular Weight: 3920.35 g/mol
• Exact Mass: 3917.82
• IUPAC Name: (2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,4S,9S,13S,16S,19S,21R)-21-hydroxy-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide
• SMILES: CCc1ccc(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@@H]2C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](C)C(=O)N[C@@H](C)C(=O)N3CCCC3C(=O)O[C@H]2C)cc1.CCc1ccc(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@@H]2C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](C)C(=O)N[C@@H](C)C(=O)N3C[C@@H](C)CC3C(=O)O[C@H]2C)cc1.Cc1ccc(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@@H]2C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](C)C(=O)N[C@@H](C)C(=O)N3CCCC3C(=O)O[C@H]2C)cc1.Cc1ccc(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@@H]2C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](C)C(=O)N[C@@H](C)C(=O)N3C[C@@H](C)CC3C(=O)O[C@H]2C)cc1.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)N(C)[C@@H](C)C(=O)N[C@@H](C)C(=O)N3C[C@@H](C)CC3C(=O)O[C@H]2C)cc1
• InChI: InChI=1S/C41H52F2N6O8.C40H50F2N6O9.2C40H50F2N6O8.C39H48F2N6O8/c1-7-26-10-12-27(13-11-26)19-34(50)45-31(18-28-16-29(42)20-30(43)17-28)37(52)46-35-25(5)57-41(56)33-15-22(2)21-49(33)38(53)23(3)44-36(51)24(4)47(6)39(54)32-9-8-14-48(32)40(35)55;1-20-7-9-25(10-8-20)15-33(50)44-30(14-26-12-27(41)16-28(42)13-26)36(52)45-34-24(5)57-40(56)32-11-21(2)18-47(32)37(53)22(3)43-35(51)23(4)46(6)38(54)31-17-29(49)19-48(31)39(34)55;1-21-9-11-26(12-10-21)18-33(49)44-30(17-27-15-28(41)19-29(42)16-27)36(51)45-34-25(5)56-40(55)32-14-22(2)20-48(32)37(52)23(3)43-35(50)24(4)46(6)38(53)31-8-7-13-47(31)39(34)54;1-6-25-11-13-26(14-12-25)20-33(49)44-30(19-27-17-28(41)21-29(42)18-27)36(51)45-34-24(4)56-40(55)32-10-8-16-48(32)37(52)22(2)43-35(50)23(3)46(5)38(53)31-9-7-15-47(31)39(34)54;1-21-10-12-25(13-11-21)19-32(48)43-29(18-26-16-27(40)20-28(41)17-26)35(50)44-33-24(4)55-39(54)31-9-7-15-47(31)36(51)22(2)42-34(49)23(3)45(5)37(52)30-8-6-14-46(30)38(33)53/h10-13,16-17,20,22-25,31-33,35H,7-9,14-15,18-19,21H2,1-6H3,(H,44,51)(H,45,50)(H,46,52);7-10,12-13,16,21-24,29-32,34,49H,11,14-15,17-19H2,1-6H3,(H,43,51)(H,44,50)(H,45,52);9-12,15-16,19,22-25,30-32,34H,7-8,13-14,17-18,20H2,1-6H3,(H,43,50)(H,44,49)(H,45,51);11-14,17-18,21-24,30-32,34H,6-10,15-16,19-20H2,1-5H3,(H,43,50)(H,44,49)(H,45,51);10-13,16-17,20,22-24,29-31,33H,6-9,14-15,18-19H2,1-5H3,(H,42,49)(H,43,48)(H,44,50)/t22-,23-,24-,25-,31-,32-,33?,35-;21-,22-,23-,24-,29+,30-,31-,32?,34-;22-,23-,24-,25-,30-,31-,32?,34-;22-,23-,24-,30-,31-,32?,34-;22-,23-,24-,29-,30-,31?,33-/m00000/s1
• InChIKey: MAIQCMSJAAGABA-IVBAXDDOSA-N
• XLogP: 6.75
• TPSA: 892.88 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 41
• Rotatable Bonds: 37
• Heavy Atoms: 281
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3920.35
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,4S,9S,13S,16S,19S,21R)-21-hydroxy-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide?

The IUPAC name of (2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,4S,9S,13S,16S,19S,21R)-21-hydroxy-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide (CID 159508866) is (2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,4S,9S,13S,16S,19S,21R)-21-hydroxy-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide.

What is the SMILES notation for (2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,4S,9S,13S,16S,19S,21R)-21-hydroxy-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide?

The canonical SMILES for (2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,4S,9S,13S,16S,19S,21R)-21-hydroxy-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide is CCc1ccc(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@@H]2C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](C)C(=O)N[C@@H](C)C(=O)N3CCCC3C(=O)O[C@H]2C)cc1.CCc1ccc(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@@H]2C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](C)C(=O)N[C@@H](C)C(=O)N3C[C@@H](C)CC3C(=O)O[C@H]2C)cc1.Cc1ccc(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@@H]2C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](C)C(=O)N[C@@H](C)C(=O)N3CCCC3C(=O)O[C@H]2C)cc1.Cc1ccc(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@@H]2C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](C)C(=O)N[C@@H](C)C(=O)N3C[C@@H](C)CC3C(=O)O[C@H]2C)cc1.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)N(C)[C@@H](C)C(=O)N[C@@H](C)C(=O)N3C[C@@H](C)CC3C(=O)O[C@H]2C)cc1.

What is the InChIKey of (2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,4S,9S,13S,16S,19S,21R)-21-hydroxy-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide?

The InChIKey is MAIQCMSJAAGABA-IVBAXDDOSA-N. The full InChI is InChI=1S/C41H52F2N6O8.C40H50F2N6O9.2C40H50F2N6O8.C39H48F2N6O8/c1-7-26-10-12-27(13-11-26)19-34(50)45-31(18-28-16-29(42)20-30(43)17-28)37(52)46-35-25(5)57-41(56)33-15-22(2)21-49(33)38(53)23(3)44-36(51)24(4)47(6)39(54)32-9-8-14-48(32)40(35)55;1-20-7-9-25(10-8-20)15-33(50)44-30(14-26-12-27(41)16-28(42)13-26)36(52)45-34-24(5)57-40(56)32-11-21(2)18-47(32)37(53)22(3)43-35(51)23(4)46(6)38(54)31-17-29(49)19-48(31)39(34)55;1-21-9-11-26(12-10-21)18-33(49)44-30(17-27-15-28(41)19-29(42)16-27)36(51)45-34-25(5)56-40(55)32-14-22(2)20-48(32)37(52)23(3)43-35(50)24(4)46(6)38(53)31-8-7-13-47(31)39(34)54;1-6-25-11-13-26(14-12-25)20-33(49)44-30(19-27-17-28(41)21-29(42)18-27)36(51)45-34-24(4)56-40(55)32-10-8-16-48(32)37(52)22(2)43-35(50)23(3)46(5)38(53)31-9-7-15-47(31)39(34)54;1-21-10-12-25(13-11-21)19-32(48)43-29(18-26-16-27(40)20-28(41)17-26)35(50)44-33-24(4)55-39(54)31-9-7-15-47(31)36(51)22(2)42-34(49)23(3)45(5)37(52)30-8-6-14-46(30)38(33)53/h10-13,16-17,20,22-25,31-33,35H,7-9,14-15,18-19,21H2,1-6H3,(H,44,51)(H,45,50)(H,46,52);7-10,12-13,16,21-24,29-32,34,49H,11,14-15,17-19H2,1-6H3,(H,43,51)(H,44,50)(H,45,52);9-12,15-16,19,22-25,30-32,34H,7-8,13-14,17-18,20H2,1-6H3,(H,43,50)(H,44,49)(H,45,51);11-14,17-18,21-24,30-32,34H,6-10,15-16,19-20H2,1-5H3,(H,43,50)(H,44,49)(H,45,51);10-13,16-17,20,22-24,29-31,33H,6-9,14-15,18-19H2,1-5H3,(H,42,49)(H,43,48)(H,44,50)/t22-,23-,24-,25-,31-,32-,33?,35-;21-,22-,23-,24-,29+,30-,31-,32?,34-;22-,23-,24-,25-,30-,31-,32?,34-;22-,23-,24-,30-,31-,32?,34-;22-,23-,24-,29-,30-,31?,33-/m00000/s1.

What are the key properties of (2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,4S,9S,13S,16S,19S,21R)-21-hydroxy-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide?

(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,4S,9S,13S,16S,19S,21R)-21-hydroxy-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide has a molecular weight of 3920.35 g/mol, XLogP of 6.75, 37 rotatable bonds, 16 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,4S,9S,13S,16S,19S,21R)-21-hydroxy-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,9S,13S,16S,19S)-4,9,13,16,17-pentamethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,4S,13S,16S,19S)-4,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide is sourced from PubChem (CID 159508866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).