(3S,6S,9R,12R)-3-butan-2-yl-9-(5,6-dioxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-9-(5-fluoro-6-oxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxo-6-phenylhexyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;6-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]hexanal

C142H193FN16O25 — CID 159934466

IUPAC(3S,6S,9R,12R)-3-butan-2-yl-9-(5,6-dioxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-9-(5-fluoro-6-oxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxo-6-phenylhexyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;6-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]hexanal
SMILESCCC(=O)C(=O)CCCC[C@@H]1CC(=O)[C@H]2CCCCN2C(=O)[C@H](C(C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O.CCC(=O)C(F)CCCC[C@@H]1CC(=O)[C@H]2CCCCN2C(=O)[C@H](C(C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O.CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)c2ccccc2)CC(=O)[C@H]2CCCCN2C1=O.CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC=O)CC(=O)[C@H]2CCCCN2C1=O
InChIInChI=1S/C39H50N4O6.C35H49FN4O6.C35H48N4O7.C33H46N4O6/c1-4-26(2)36-39(48)42-22-14-13-20-33(42)35(45)24-28(17-9-6-10-21-34(44)27-15-7-5-8-16-27)37(46)40-31(38(47)41-36)23-29-25-43(49-3)32-19-12-11-18-30(29)32;1-5-22(3)32-35(45)39-18-12-11-17-29(39)31(42)20-23(13-7-9-15-26(36)30(41)6-2)33(43)37-27(34(44)38-32)19-24-21-40(46-4)28-16-10-8-14-25(24)28;1-5-22(3)32-35(45)38-18-12-11-16-28(38)31(42)20-23(13-7-10-17-30(41)29(40)6-2)33(43)36-26(34(44)37-32)19-24-21-39(46-4)27-15-9-8-14-25(24)27;1-4-22(2)30-33(42)36-17-11-10-16-28(36)29(39)20-23(13-7-5-6-12-18-38)31(40)34-26(32(41)35-30)19-24-21-37(43-3)27-15-9-8-14-25(24)27/h5,7-8,11-12,15-16,18-19,25-26,28,31,33,36H,4,6,9-10,13-14,17,20-24H2,1-3H3,(H,40,46)(H,41,47);8,10,14,16,21-23,26-27,29,32H,5-7,9,11-13,15,17-20H2,1-4H3,(H,37,43)(H,38,44);8-9,14-15,21-23,26,28,32H,5-7,10-13,16-20H2,1-4H3,(H,36,43)(H,37,44);8-9,14-15,18,21-23,26,28,30H,4-7,10-13,16-17,19-20H2,1-3H3,(H,34,40)(H,35,41)/t26?,28-,31+,33-,36+;22?,23-,26?,27+,29-,32+;22?,23-,26+,28-,32+;22?,23-,26+,28-,30+/m1111/s1
InChIKeyOABGWGRGQDPJJG-GWDIUXRDSA-N
MW2543.19 g/mol
LogP15.88
Rot. Bonds47

About (3S,6S,9R,12R)-3-butan-2-yl-9-(5,6-dioxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-9-(5-fluoro-6-oxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxo-6-phenylhexyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;6-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]hexanal

(3S,6S,9R,12R)-3-butan-2-yl-9-(5,6-dioxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-9-(5-fluoro-6-oxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxo-6-phenylhexyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;6-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]hexanal (PubChem CID 159934466) has the molecular formula C142H193FN16O25 and a molecular weight of 2543.19 g/mol. Its IUPAC name is (3S,6S,9R,12R)-3-butan-2-yl-9-(5,6-dioxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-9-(5-fluoro-6-oxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxo-6-phenylhexyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;6-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]hexanal.

Molecular Properties

Compound Name(3S,6S,9R,12R)-3-butan-2-yl-9-(5,6-dioxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-9-(5-fluoro-6-oxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxo-6-phenylhexyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;6-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]hexanal
PubChem CID159934466
Molecular FormulaC142H193FN16O25
Molecular Weight2543.19 g/mol
Exact Mass2541.43
IUPAC Name(3S,6S,9R,12R)-3-butan-2-yl-9-(5,6-dioxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-9-(5-fluoro-6-oxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxo-6-phenylhexyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;6-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]hexanal
SMILESCCC(=O)C(=O)CCCC[C@@H]1CC(=O)[C@H]2CCCCN2C(=O)[C@H](C(C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O.CCC(=O)C(F)CCCC[C@@H]1CC(=O)[C@H]2CCCCN2C(=O)[C@H](C(C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O.CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)c2ccccc2)CC(=O)[C@H]2CCCCN2C1=O.CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC=O)CC(=O)[C@H]2CCCCN2C1=O
InChIInChI=1S/C39H50N4O6.C35H49FN4O6.C35H48N4O7.C33H46N4O6/c1-4-26(2)36-39(48)42-22-14-13-20-33(42)35(45)24-28(17-9-6-10-21-34(44)27-15-7-5-8-16-27)37(46)40-31(38(47)41-36)23-29-25-43(49-3)32-19-12-11-18-30(29)32;1-5-22(3)32-35(45)39-18-12-11-17-29(39)31(42)20-23(13-7-9-15-26(36)30(41)6-2)33(43)37-27(34(44)38-32)19-24-21-40(46-4)28-16-10-8-14-25(24)28;1-5-22(3)32-35(45)38-18-12-11-16-28(38)31(42)20-23(13-7-10-17-30(41)29(40)6-2)33(43)36-26(34(44)37-32)19-24-21-39(46-4)27-15-9-8-14-25(24)27;1-4-22(2)30-33(42)36-17-11-10-16-28(36)29(39)20-23(13-7-5-6-12-18-38)31(40)34-26(32(41)35-30)19-24-21-37(43-3)27-15-9-8-14-25(24)27/h5,7-8,11-12,15-16,18-19,25-26,28,31,33,36H,4,6,9-10,13-14,17,20-24H2,1-3H3,(H,40,46)(H,41,47);8,10,14,16,21-23,26-27,29,32H,5-7,9,11-13,15,17-20H2,1-4H3,(H,37,43)(H,38,44);8-9,14-15,21-23,26,28,32H,5-7,10-13,16-20H2,1-4H3,(H,36,43)(H,37,44);8-9,14-15,18,21-23,26,28,30H,4-7,10-13,16-17,19-20H2,1-3H3,(H,34,40)(H,35,41)/t26?,28-,31+,33-,36+;22?,23-,26?,27+,29-,32+;22?,23-,26+,28-,32+;22?,23-,26+,28-,30+/m1111/s1
InChIKeyOABGWGRGQDPJJG-GWDIUXRDSA-N
XLogP15.88
TPSA524.31 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds47
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002543.19
LogP ≤ 515.88
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze (3S,6S,9R,12R)-3-butan-2-yl-9-(5,6-dioxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-9-(5-fluoro-6-oxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxo-6-phenylhexyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;6-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]hexanal with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,6S,9R,12R)-3-butan-2-yl-9-(5,6-dioxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-9-(5-fluoro-6-oxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxo-6-phenylhexyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;6-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]hexanal?
The IUPAC name of (3S,6S,9R,12R)-3-butan-2-yl-9-(5,6-dioxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-9-(5-fluoro-6-oxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxo-6-phenylhexyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;6-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]hexanal (CID 159934466) is (3S,6S,9R,12R)-3-butan-2-yl-9-(5,6-dioxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-9-(5-fluoro-6-oxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxo-6-phenylhexyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;6-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]hexanal.
What is the SMILES notation for (3S,6S,9R,12R)-3-butan-2-yl-9-(5,6-dioxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-9-(5-fluoro-6-oxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxo-6-phenylhexyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;6-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]hexanal?
The canonical SMILES for (3S,6S,9R,12R)-3-butan-2-yl-9-(5,6-dioxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-9-(5-fluoro-6-oxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxo-6-phenylhexyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;6-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]hexanal is CCC(=O)C(=O)CCCC[C@@H]1CC(=O)[C@H]2CCCCN2C(=O)[C@H](C(C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O.CCC(=O)C(F)CCCC[C@@H]1CC(=O)[C@H]2CCCCN2C(=O)[C@H](C(C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O.CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)c2ccccc2)CC(=O)[C@H]2CCCCN2C1=O.CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC=O)CC(=O)[C@H]2CCCCN2C1=O.
What is the InChIKey of (3S,6S,9R,12R)-3-butan-2-yl-9-(5,6-dioxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-9-(5-fluoro-6-oxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxo-6-phenylhexyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;6-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]hexanal?
The InChIKey is OABGWGRGQDPJJG-GWDIUXRDSA-N. The full InChI is InChI=1S/C39H50N4O6.C35H49FN4O6.C35H48N4O7.C33H46N4O6/c1-4-26(2)36-39(48)42-22-14-13-20-33(42)35(45)24-28(17-9-6-10-21-34(44)27-15-7-5-8-16-27)37(46)40-31(38(47)41-36)23-29-25-43(49-3)32-19-12-11-18-30(29)32;1-5-22(3)32-35(45)39-18-12-11-17-29(39)31(42)20-23(13-7-9-15-26(36)30(41)6-2)33(43)37-27(34(44)38-32)19-24-21-40(46-4)28-16-10-8-14-25(24)28;1-5-22(3)32-35(45)38-18-12-11-16-28(38)31(42)20-23(13-7-10-17-30(41)29(40)6-2)33(43)36-26(34(44)37-32)19-24-21-39(46-4)27-15-9-8-14-25(24)27;1-4-22(2)30-33(42)36-17-11-10-16-28(36)29(39)20-23(13-7-5-6-12-18-38)31(40)34-26(32(41)35-30)19-24-21-37(43-3)27-15-9-8-14-25(24)27/h5,7-8,11-12,15-16,18-19,25-26,28,31,33,36H,4,6,9-10,13-14,17,20-24H2,1-3H3,(H,40,46)(H,41,47);8,10,14,16,21-23,26-27,29,32H,5-7,9,11-13,15,17-20H2,1-4H3,(H,37,43)(H,38,44);8-9,14-15,21-23,26,28,32H,5-7,10-13,16-20H2,1-4H3,(H,36,43)(H,37,44);8-9,14-15,18,21-23,26,28,30H,4-7,10-13,16-17,19-20H2,1-3H3,(H,34,40)(H,35,41)/t26?,28-,31+,33-,36+;22?,23-,26?,27+,29-,32+;22?,23-,26+,28-,32+;22?,23-,26+,28-,30+/m1111/s1.
What are the key properties of (3S,6S,9R,12R)-3-butan-2-yl-9-(5,6-dioxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-9-(5-fluoro-6-oxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxo-6-phenylhexyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;6-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]hexanal?
(3S,6S,9R,12R)-3-butan-2-yl-9-(5,6-dioxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-9-(5-fluoro-6-oxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxo-6-phenylhexyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;6-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]hexanal has a molecular weight of 2543.19 g/mol, XLogP of 15.88, 47 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S,9R,12R)-3-butan-2-yl-9-(5,6-dioxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-9-(5-fluoro-6-oxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxo-6-phenylhexyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;6-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]hexanal is sourced from PubChem (CID 159934466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).