(2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide

C169H216F4N28O34 — CID 159563075

About (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide

(2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide (PubChem CID 159563075) has the molecular formula C169H216F4N28O34 and a molecular weight of 3259.74 g/mol. Its IUPAC name is (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide
• PubChem CID: 159563075
• Molecular Formula: C169H216F4N28O34
• Molecular Weight: 3259.74 g/mol
• Exact Mass: 3257.60
• IUPAC Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide
• SMILES: CCc1ccc(CC(=O)N[C@@H](Cc2cccc(C)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CN(C)CCN3C(=O)[C@@H]3CCCN3C2=O)cc1.Cc1ccc(CC(=O)N[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CN(C)CCN3C(=O)[C@@H]3CCCN3C2=O)c(F)c1.Cc1ccc(CC(=O)N[C@@H](Cc2cccc(C)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CN(C)CCN3C(=O)[C@@H]3CCCN3C2=O)cc1.Cc1cccc(C[C@H](NC(=O)Cc2ccc3c(c2)OCO3)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CN(C)CCN3C(=O)[C@@H]3CCCN3C2=O)c1
• InChI: InChI=1S/C43H57N7O8.C42H51F4N7O8.C42H53N7O10.C42H55N7O8/c1-6-29-12-14-30(15-13-29)22-37(51)45-32(21-31-10-7-9-26(2)19-31)38(52)46-33-25-58-43(57)35-20-27(3)23-50(35)40(54)28(4)44-39(53)36-24-47(5)17-18-49(36)42(56)34-11-8-16-48(34)41(33)55;1-23-10-11-27(29(43)15-23)19-35(54)48-30(18-26-7-5-8-28(17-26)42(44,45)46)36(55)49-31-22-61-41(60)33-16-24(2)20-53(33)38(57)25(3)47-37(56)34-21-50(4)13-14-52(34)40(59)32-9-6-12-51(32)39(31)58;1-24-7-5-8-27(15-24)17-29(44-36(50)19-28-10-11-34-35(18-28)59-23-58-34)37(51)45-30-22-57-42(56)32-16-25(2)20-49(32)39(53)26(3)43-38(52)33-21-46(4)13-14-48(33)41(55)31-9-6-12-47(31)40(30)54;1-25-11-13-29(14-12-25)21-36(50)44-31(20-30-9-6-8-26(2)18-30)37(51)45-32-24-57-42(56)34-19-27(3)22-49(34)39(53)28(4)43-38(52)35-23-46(5)16-17-48(35)41(55)33-10-7-15-47(33)40(32)54/h7,9-10,12-15,19,27-28,32-36H,6,8,11,16-18,20-25H2,1-5H3,(H,44,53)(H,45,51)(H,46,52);5,7-8,10-11,15,17,24-25,30-34H,6,9,12-14,16,18-22H2,1-4H3,(H,47,56)(H,48,54)(H,49,55);5,7-8,10-11,15,18,25-26,29-33H,6,9,12-14,16-17,19-23H2,1-4H3,(H,43,52)(H,44,50)(H,45,51);6,8-9,11-14,18,27-28,31-35H,7,10,15-17,19-24H2,1-5H3,(H,43,52)(H,44,50)(H,45,51)/t27-,28+,32+,33+,34+,35+,36+;24-,25+,30+,31+,32+,33+,34+;25-,26+,29+,30+,31+,32+,33+;27-,28+,31+,32+,33+,34+,35+/m1111/s1
• InChIKey: MGWCLQQHMFKRQV-BJMKQOBNSA-N
• XLogP: 2.49
• TPSA: 729.54 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 29
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3259.74
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide?

The IUPAC name of (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide (CID 159563075) is (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide.

What is the SMILES notation for (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide?

The canonical SMILES for (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide is CCc1ccc(CC(=O)N[C@@H](Cc2cccc(C)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CN(C)CCN3C(=O)[C@@H]3CCCN3C2=O)cc1.Cc1ccc(CC(=O)N[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CN(C)CCN3C(=O)[C@@H]3CCCN3C2=O)c(F)c1.Cc1ccc(CC(=O)N[C@@H](Cc2cccc(C)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CN(C)CCN3C(=O)[C@@H]3CCCN3C2=O)cc1.Cc1cccc(C[C@H](NC(=O)Cc2ccc3c(c2)OCO3)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CN(C)CCN3C(=O)[C@@H]3CCCN3C2=O)c1.

What is the InChIKey of (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide?

The InChIKey is MGWCLQQHMFKRQV-BJMKQOBNSA-N. The full InChI is InChI=1S/C43H57N7O8.C42H51F4N7O8.C42H53N7O10.C42H55N7O8/c1-6-29-12-14-30(15-13-29)22-37(51)45-32(21-31-10-7-9-26(2)19-31)38(52)46-33-25-58-43(57)35-20-27(3)23-50(35)40(54)28(4)44-39(53)36-24-47(5)17-18-49(36)42(56)34-11-8-16-48(34)41(33)55;1-23-10-11-27(29(43)15-23)19-35(54)48-30(18-26-7-5-8-28(17-26)42(44,45)46)36(55)49-31-22-61-41(60)33-16-24(2)20-53(33)38(57)25(3)47-37(56)34-21-50(4)13-14-52(34)40(59)32-9-6-12-51(32)39(31)58;1-24-7-5-8-27(15-24)17-29(44-36(50)19-28-10-11-34-35(18-28)59-23-58-34)37(51)45-30-22-57-42(56)32-16-25(2)20-49(32)39(53)26(3)43-38(52)33-21-46(4)13-14-48(33)41(55)31-9-6-12-47(31)40(30)54;1-25-11-13-29(14-12-25)21-36(50)44-31(20-30-9-6-8-26(2)18-30)37(51)45-32-24-57-42(56)34-19-27(3)22-49(34)39(53)28(4)43-38(52)35-23-46(5)16-17-48(35)41(55)33-10-7-15-47(33)40(32)54/h7,9-10,12-15,19,27-28,32-36H,6,8,11,16-18,20-25H2,1-5H3,(H,44,53)(H,45,51)(H,46,52);5,7-8,10-11,15,17,24-25,30-34H,6,9,12-14,16,18-22H2,1-4H3,(H,47,56)(H,48,54)(H,49,55);5,7-8,10-11,15,18,25-26,29-33H,6,9,12-14,16-17,19-23H2,1-4H3,(H,43,52)(H,44,50)(H,45,51);6,8-9,11-14,18,27-28,31-35H,7,10,15-17,19-24H2,1-5H3,(H,43,52)(H,44,50)(H,45,51)/t27-,28+,32+,33+,34+,35+,36+;24-,25+,30+,31+,32+,33+,34+;25-,26+,29+,30+,31+,32+,33+;27-,28+,31+,32+,33+,34+,35+/m1111/s1.

What are the key properties of (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide?

(2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide has a molecular weight of 3259.74 g/mol, XLogP of 2.49, 29 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]-3-(3-methylphenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]-N-[(3S,9S,13S,15R,19S,22S)-15,19,24-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide is sourced from PubChem (CID 159563075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).