(3S,6S,9R,12R)-6-[(5-bromo-1-methoxyindol-3-yl)methyl]-3-butan-2-yl-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[[2-(3,5-dimethylphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6R,9R,12R)-3-butan-2-yl-6-(1H-indole-3-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxy-2,3-dihydroindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6R,9R,12R)-3-[(2R)-butan-2-yl]-6-(1-methylindole-5-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

C181H251BrN20O29 — CID 161079628

About (3S,6S,9R,12R)-6-[(5-bromo-1-methoxyindol-3-yl)methyl]-3-butan-2-yl-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[[2-(3,5-dimethylphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6R,9R,12R)-3-butan-2-yl-6-(1H-indole-3-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxy-2,3-dihydroindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6R,9R,12R)-3-[(2R)-butan-2-yl]-6-(1-methylindole-5-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

(3S,6S,9R,12R)-6-[(5-bromo-1-methoxyindol-3-yl)methyl]-3-butan-2-yl-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[[2-(3,5-dimethylphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6R,9R,12R)-3-butan-2-yl-6-(1H-indole-3-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxy-2,3-dihydroindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6R,9R,12R)-3-[(2R)-butan-2-yl]-6-(1-methylindole-5-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone (PubChem CID 161079628) has the molecular formula C181H251BrN20O29 and a molecular weight of 3251.01 g/mol. Its IUPAC name is (3S,6S,9R,12R)-6-[(5-bromo-1-methoxyindol-3-yl)methyl]-3-butan-2-yl-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[[2-(3,5-dimethylphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6R,9R,12R)-3-butan-2-yl-6-(1H-indole-3-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxy-2,3-dihydroindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6R,9R,12R)-3-[(2R)-butan-2-yl]-6-(1-methylindole-5-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone.

Molecular Properties

• Compound Name: (3S,6S,9R,12R)-6-[(5-bromo-1-methoxyindol-3-yl)methyl]-3-butan-2-yl-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[[2-(3,5-dimethylphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6R,9R,12R)-3-butan-2-yl-6-(1H-indole-3-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxy-2,3-dihydroindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6R,9R,12R)-3-[(2R)-butan-2-yl]-6-(1-methylindole-5-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
• PubChem CID: 161079628
• Molecular Formula: C181H251BrN20O29
• Molecular Weight: 3251.01 g/mol
• Exact Mass: 3247.80
• IUPAC Name: (3S,6S,9R,12R)-6-[(5-bromo-1-methoxyindol-3-yl)methyl]-3-butan-2-yl-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[[2-(3,5-dimethylphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6R,9R,12R)-3-butan-2-yl-6-(1H-indole-3-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxy-2,3-dihydroindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6R,9R,12R)-3-[(2R)-butan-2-yl]-6-(1-methylindole-5-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
• SMILES: CCC(=O)CCCCC[C@@H]1CC(=O)[C@H]2CCCCN2C(=O)C([C@H](C)CC)NC(=O)[C@@H](C(=O)c2ccc3c(ccn3C)c2)NC1=O.CCC(=O)CCCCC[C@@H]1CC(=O)[C@H]2CCCCN2C(=O)C([C@H](C)CC)NC(=O)[C@H](Cc2c(-c3cc(C)cc(C)c3)[nH]c3ccccc23)NC1=O.CCC(=O)CCCCC[C@@H]1CC(=O)[C@H]2CCCCN2C(=O)[C@H](C(C)CC)NC(=O)[C@@H](C(=O)c2c[nH]c3ccccc23)NC1=O.CCC(=O)CCCCC[C@@H]1CC(=O)[C@H]2CCCCN2C(=O)[C@H](C(C)CC)NC(=O)[C@H](CC2CN(OC)c3ccccc32)NC1=O.CCC(=O)CCCCC[C@@H]1CC(=O)[C@H]2CCCCN2C(=O)[C@H](C(C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccc(Br)cc23)NC1=O
• InChI: InChI=1S/C42H56N4O5.C35H49BrN4O6.C35H52N4O6.C35H48N4O6.C34H46N4O6/c1-6-28(5)38-42(51)46-20-14-13-19-36(46)37(48)24-29(15-9-8-10-16-31(47)7-2)40(49)44-35(41(50)45-38)25-33-32-17-11-12-18-34(32)43-39(33)30-22-26(3)21-27(4)23-30;1-5-22(3)32-35(45)39-17-11-10-14-30(39)31(42)19-23(12-8-7-9-13-26(41)6-2)33(43)37-28(34(44)38-32)18-24-21-40(46-4)29-16-15-25(36)20-27(24)29;1-5-23(3)32-35(44)38-19-13-12-18-30(38)31(41)21-24(14-8-7-9-15-26(40)6-2)33(42)36-28(34(43)37-32)20-25-22-39(45-4)29-17-11-10-16-27(25)29;1-5-22(3)30-35(45)39-18-11-10-14-28(39)29(41)21-25(12-8-7-9-13-26(40)6-2)33(43)37-31(34(44)36-30)32(42)24-15-16-27-23(20-24)17-19-38(27)4;1-4-21(3)29-34(44)38-18-12-11-17-27(38)28(40)19-22(13-7-6-8-14-23(39)5-2)32(42)37-30(33(43)36-29)31(41)25-20-35-26-16-10-9-15-24(25)26/h11-12,17-18,21-23,28-29,35-36,38,43H,6-10,13-16,19-20,24-25H2,1-5H3,(H,44,49)(H,45,50);15-16,20-23,28,30,32H,5-14,17-19H2,1-4H3,(H,37,43)(H,38,44);10-11,16-17,23-25,28,30,32H,5-9,12-15,18-22H2,1-4H3,(H,36,42)(H,37,43);15-17,19-20,22,25,28,30-31H,5-14,18,21H2,1-4H3,(H,36,44)(H,37,43);9-10,15-16,20-22,27,29-30,35H,4-8,11-14,17-19H2,1-3H3,(H,36,43)(H,37,42)/t28-,29-,35+,36-,38?;22?,23-,28+,30-,32+;23?,24-,25?,28+,30-,32+;22-,25-,28-,30?,31-;21?,22-,27-,29+,30-/m11111/s1
• InChIKey: UFSYOVUYLHTOEQ-DPUULWGHSA-N
• XLogP: 24.83
• TPSA: 660.53 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 58
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3251.01
LogP ≤ 5	24.83
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,6S,9R,12R)-6-[(5-bromo-1-methoxyindol-3-yl)methyl]-3-butan-2-yl-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[[2-(3,5-dimethylphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6R,9R,12R)-3-butan-2-yl-6-(1H-indole-3-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxy-2,3-dihydroindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6R,9R,12R)-3-[(2R)-butan-2-yl]-6-(1-methylindole-5-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone?

The IUPAC name of (3S,6S,9R,12R)-6-[(5-bromo-1-methoxyindol-3-yl)methyl]-3-butan-2-yl-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[[2-(3,5-dimethylphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6R,9R,12R)-3-butan-2-yl-6-(1H-indole-3-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxy-2,3-dihydroindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6R,9R,12R)-3-[(2R)-butan-2-yl]-6-(1-methylindole-5-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone (CID 161079628) is (3S,6S,9R,12R)-6-[(5-bromo-1-methoxyindol-3-yl)methyl]-3-butan-2-yl-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[[2-(3,5-dimethylphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6R,9R,12R)-3-butan-2-yl-6-(1H-indole-3-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxy-2,3-dihydroindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6R,9R,12R)-3-[(2R)-butan-2-yl]-6-(1-methylindole-5-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone.

What is the SMILES notation for (3S,6S,9R,12R)-6-[(5-bromo-1-methoxyindol-3-yl)methyl]-3-butan-2-yl-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[[2-(3,5-dimethylphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6R,9R,12R)-3-butan-2-yl-6-(1H-indole-3-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxy-2,3-dihydroindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6R,9R,12R)-3-[(2R)-butan-2-yl]-6-(1-methylindole-5-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone?

The canonical SMILES for (3S,6S,9R,12R)-6-[(5-bromo-1-methoxyindol-3-yl)methyl]-3-butan-2-yl-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[[2-(3,5-dimethylphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6R,9R,12R)-3-butan-2-yl-6-(1H-indole-3-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxy-2,3-dihydroindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6R,9R,12R)-3-[(2R)-butan-2-yl]-6-(1-methylindole-5-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone is CCC(=O)CCCCC[C@@H]1CC(=O)[C@H]2CCCCN2C(=O)C([C@H](C)CC)NC(=O)[C@@H](C(=O)c2ccc3c(ccn3C)c2)NC1=O.CCC(=O)CCCCC[C@@H]1CC(=O)[C@H]2CCCCN2C(=O)C([C@H](C)CC)NC(=O)[C@H](Cc2c(-c3cc(C)cc(C)c3)[nH]c3ccccc23)NC1=O.CCC(=O)CCCCC[C@@H]1CC(=O)[C@H]2CCCCN2C(=O)[C@H](C(C)CC)NC(=O)[C@@H](C(=O)c2c[nH]c3ccccc23)NC1=O.CCC(=O)CCCCC[C@@H]1CC(=O)[C@H]2CCCCN2C(=O)[C@H](C(C)CC)NC(=O)[C@H](CC2CN(OC)c3ccccc32)NC1=O.CCC(=O)CCCCC[C@@H]1CC(=O)[C@H]2CCCCN2C(=O)[C@H](C(C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccc(Br)cc23)NC1=O.

What is the InChIKey of (3S,6S,9R,12R)-6-[(5-bromo-1-methoxyindol-3-yl)methyl]-3-butan-2-yl-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[[2-(3,5-dimethylphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6R,9R,12R)-3-butan-2-yl-6-(1H-indole-3-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxy-2,3-dihydroindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6R,9R,12R)-3-[(2R)-butan-2-yl]-6-(1-methylindole-5-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone?

The InChIKey is UFSYOVUYLHTOEQ-DPUULWGHSA-N. The full InChI is InChI=1S/C42H56N4O5.C35H49BrN4O6.C35H52N4O6.C35H48N4O6.C34H46N4O6/c1-6-28(5)38-42(51)46-20-14-13-19-36(46)37(48)24-29(15-9-8-10-16-31(47)7-2)40(49)44-35(41(50)45-38)25-33-32-17-11-12-18-34(32)43-39(33)30-22-26(3)21-27(4)23-30;1-5-22(3)32-35(45)39-17-11-10-14-30(39)31(42)19-23(12-8-7-9-13-26(41)6-2)33(43)37-28(34(44)38-32)18-24-21-40(46-4)29-16-15-25(36)20-27(24)29;1-5-23(3)32-35(44)38-19-13-12-18-30(38)31(41)21-24(14-8-7-9-15-26(40)6-2)33(42)36-28(34(43)37-32)20-25-22-39(45-4)29-17-11-10-16-27(25)29;1-5-22(3)30-35(45)39-18-11-10-14-28(39)29(41)21-25(12-8-7-9-13-26(40)6-2)33(43)37-31(34(44)36-30)32(42)24-15-16-27-23(20-24)17-19-38(27)4;1-4-21(3)29-34(44)38-18-12-11-17-27(38)28(40)19-22(13-7-6-8-14-23(39)5-2)32(42)37-30(33(43)36-29)31(41)25-20-35-26-16-10-9-15-24(25)26/h11-12,17-18,21-23,28-29,35-36,38,43H,6-10,13-16,19-20,24-25H2,1-5H3,(H,44,49)(H,45,50);15-16,20-23,28,30,32H,5-14,17-19H2,1-4H3,(H,37,43)(H,38,44);10-11,16-17,23-25,28,30,32H,5-9,12-15,18-22H2,1-4H3,(H,36,42)(H,37,43);15-17,19-20,22,25,28,30-31H,5-14,18,21H2,1-4H3,(H,36,44)(H,37,43);9-10,15-16,20-22,27,29-30,35H,4-8,11-14,17-19H2,1-3H3,(H,36,43)(H,37,42)/t28-,29-,35+,36-,38?;22?,23-,28+,30-,32+;23?,24-,25?,28+,30-,32+;22-,25-,28-,30?,31-;21?,22-,27-,29+,30-/m11111/s1.

What are the key properties of (3S,6S,9R,12R)-6-[(5-bromo-1-methoxyindol-3-yl)methyl]-3-butan-2-yl-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[[2-(3,5-dimethylphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6R,9R,12R)-3-butan-2-yl-6-(1H-indole-3-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxy-2,3-dihydroindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6R,9R,12R)-3-[(2R)-butan-2-yl]-6-(1-methylindole-5-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone?

(3S,6S,9R,12R)-6-[(5-bromo-1-methoxyindol-3-yl)methyl]-3-butan-2-yl-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[[2-(3,5-dimethylphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6R,9R,12R)-3-butan-2-yl-6-(1H-indole-3-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxy-2,3-dihydroindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6R,9R,12R)-3-[(2R)-butan-2-yl]-6-(1-methylindole-5-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone has a molecular weight of 3251.01 g/mol, XLogP of 24.83, 58 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,6S,9R,12R)-6-[(5-bromo-1-methoxyindol-3-yl)methyl]-3-butan-2-yl-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[[2-(3,5-dimethylphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6R,9R,12R)-3-butan-2-yl-6-(1H-indole-3-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxy-2,3-dihydroindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(6R,9R,12R)-3-[(2R)-butan-2-yl]-6-(1-methylindole-5-carbonyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone is sourced from PubChem (CID 161079628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).