(3S,6S,9R,12R)-3-butan-2-yl-9-(5-hydroxypentyl)-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-oxoheptyl)-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;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]-N-methoxy-N-methylhexanamide;5-[(3S,6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]pentyl 4-methylbenzenesulfonate

C173H243N21O33S — CID 157192229

About (3S,6S,9R,12R)-3-butan-2-yl-9-(5-hydroxypentyl)-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-oxoheptyl)-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;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]-N-methoxy-N-methylhexanamide;5-[(3S,6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]pentyl 4-methylbenzenesulfonate

(3S,6S,9R,12R)-3-butan-2-yl-9-(5-hydroxypentyl)-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-oxoheptyl)-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;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]-N-methoxy-N-methylhexanamide;5-[(3S,6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]pentyl 4-methylbenzenesulfonate (PubChem CID 157192229) has the molecular formula C173H243N21O33S and a molecular weight of 3177.03 g/mol. Its IUPAC name is (3S,6S,9R,12R)-3-butan-2-yl-9-(5-hydroxypentyl)-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-oxoheptyl)-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;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]-N-methoxy-N-methylhexanamide;5-[(3S,6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]pentyl 4-methylbenzenesulfonate.

Molecular Properties

• Compound Name: (3S,6S,9R,12R)-3-butan-2-yl-9-(5-hydroxypentyl)-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-oxoheptyl)-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;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]-N-methoxy-N-methylhexanamide;5-[(3S,6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]pentyl 4-methylbenzenesulfonate
• PubChem CID: 157192229
• Molecular Formula: C173H243N21O33S
• Molecular Weight: 3177.03 g/mol
• Exact Mass: 3174.77
• IUPAC Name: (3S,6S,9R,12R)-3-butan-2-yl-9-(5-hydroxypentyl)-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-oxoheptyl)-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;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]-N-methoxy-N-methylhexanamide;5-[(3S,6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]pentyl 4-methylbenzenesulfonate
• SMILES: CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)N(C)OC)CC(=O)[C@H]2CCCCN2C1=O.CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(C)=O)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.CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCO)CC(=O)[C@H]2CCCCN2C1=O.CC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCOS(=O)(=O)c2ccc(C)cc2)CC(=O)[C@H]2CCCCN2C1=O
• InChI: InChI=1S/C39H52N4O8S.C35H51N5O7.C34H48N4O6.C33H46N4O6.C32H46N4O6/c1-5-27(3)36-39(47)42-21-11-10-16-34(42)35(44)24-28(13-7-6-12-22-51-52(48,49)30-19-17-26(2)18-20-30)37(45)40-32(38(46)41-36)23-29-25-43(50-4)33-15-9-8-14-31(29)33;1-6-23(2)32-35(45)39-19-13-12-17-29(39)30(41)21-24(14-8-7-9-18-31(42)38(3)46-4)33(43)36-27(34(44)37-32)20-25-22-40(47-5)28-16-11-10-15-26(25)28;1-5-22(2)31-34(43)37-18-12-11-17-29(37)30(40)20-24(14-8-6-7-13-23(3)39)32(41)35-27(33(42)36-31)19-25-21-38(44-4)28-16-10-9-15-26(25)28;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;1-4-21(2)29-32(41)35-16-10-9-15-27(35)28(38)19-22(12-6-5-11-17-37)30(39)33-25(31(40)34-29)18-23-20-36(42-3)26-14-8-7-13-24(23)26/h8-9,14-15,17-20,25,27-28,32,34,36H,5-7,10-13,16,21-24H2,1-4H3,(H,40,45)(H,41,46);10-11,15-16,22-24,27,29,32H,6-9,12-14,17-21H2,1-5H3,(H,36,43)(H,37,44);9-10,15-16,21-22,24,27,29,31H,5-8,11-14,17-20H2,1-4H3,(H,35,41)(H,36,42);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);7-8,13-14,20-22,25,27,29,37H,4-6,9-12,15-19H2,1-3H3,(H,33,39)(H,34,40)/t27-,28-,32+,34-,36+;23?,24-,27+,29-,32+;22?,24-,27+,29-,31+;22?,23-,26+,28-,30+;21?,22-,25+,27-,29+/m11111/s1
• InChIKey: APVIAXJCDOEBMW-PVYWUPGMSA-N
• XLogP: 17.63
• TPSA: 675.98 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 57
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3177.03
LogP ≤ 5	17.63
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,6S,9R,12R)-3-butan-2-yl-9-(5-hydroxypentyl)-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-oxoheptyl)-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;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]-N-methoxy-N-methylhexanamide;5-[(3S,6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]pentyl 4-methylbenzenesulfonate?

The IUPAC name of (3S,6S,9R,12R)-3-butan-2-yl-9-(5-hydroxypentyl)-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-oxoheptyl)-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;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]-N-methoxy-N-methylhexanamide;5-[(3S,6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]pentyl 4-methylbenzenesulfonate (CID 157192229) is (3S,6S,9R,12R)-3-butan-2-yl-9-(5-hydroxypentyl)-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-oxoheptyl)-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;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]-N-methoxy-N-methylhexanamide;5-[(3S,6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]pentyl 4-methylbenzenesulfonate.

What is the SMILES notation for (3S,6S,9R,12R)-3-butan-2-yl-9-(5-hydroxypentyl)-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-oxoheptyl)-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;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]-N-methoxy-N-methylhexanamide;5-[(3S,6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]pentyl 4-methylbenzenesulfonate?

The canonical SMILES for (3S,6S,9R,12R)-3-butan-2-yl-9-(5-hydroxypentyl)-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-oxoheptyl)-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;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]-N-methoxy-N-methylhexanamide;5-[(3S,6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]pentyl 4-methylbenzenesulfonate is CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)N(C)OC)CC(=O)[C@H]2CCCCN2C1=O.CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(C)=O)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.CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCO)CC(=O)[C@H]2CCCCN2C1=O.CC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCOS(=O)(=O)c2ccc(C)cc2)CC(=O)[C@H]2CCCCN2C1=O.

What is the InChIKey of (3S,6S,9R,12R)-3-butan-2-yl-9-(5-hydroxypentyl)-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-oxoheptyl)-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;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]-N-methoxy-N-methylhexanamide;5-[(3S,6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]pentyl 4-methylbenzenesulfonate?

The InChIKey is APVIAXJCDOEBMW-PVYWUPGMSA-N. The full InChI is InChI=1S/C39H52N4O8S.C35H51N5O7.C34H48N4O6.C33H46N4O6.C32H46N4O6/c1-5-27(3)36-39(47)42-21-11-10-16-34(42)35(44)24-28(13-7-6-12-22-51-52(48,49)30-19-17-26(2)18-20-30)37(45)40-32(38(46)41-36)23-29-25-43(50-4)33-15-9-8-14-31(29)33;1-6-23(2)32-35(45)39-19-13-12-17-29(39)30(41)21-24(14-8-7-9-18-31(42)38(3)46-4)33(43)36-27(34(44)37-32)20-25-22-40(47-5)28-16-11-10-15-26(25)28;1-5-22(2)31-34(43)37-18-12-11-17-29(37)30(40)20-24(14-8-6-7-13-23(3)39)32(41)35-27(33(42)36-31)19-25-21-38(44-4)28-16-10-9-15-26(25)28;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;1-4-21(2)29-32(41)35-16-10-9-15-27(35)28(38)19-22(12-6-5-11-17-37)30(39)33-25(31(40)34-29)18-23-20-36(42-3)26-14-8-7-13-24(23)26/h8-9,14-15,17-20,25,27-28,32,34,36H,5-7,10-13,16,21-24H2,1-4H3,(H,40,45)(H,41,46);10-11,15-16,22-24,27,29,32H,6-9,12-14,17-21H2,1-5H3,(H,36,43)(H,37,44);9-10,15-16,21-22,24,27,29,31H,5-8,11-14,17-20H2,1-4H3,(H,35,41)(H,36,42);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);7-8,13-14,20-22,25,27,29,37H,4-6,9-12,15-19H2,1-3H3,(H,33,39)(H,34,40)/t27-,28-,32+,34-,36+;23?,24-,27+,29-,32+;22?,24-,27+,29-,31+;22?,23-,26+,28-,30+;21?,22-,25+,27-,29+/m11111/s1.

What are the key properties of (3S,6S,9R,12R)-3-butan-2-yl-9-(5-hydroxypentyl)-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-oxoheptyl)-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;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]-N-methoxy-N-methylhexanamide;5-[(3S,6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]pentyl 4-methylbenzenesulfonate?

(3S,6S,9R,12R)-3-butan-2-yl-9-(5-hydroxypentyl)-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-oxoheptyl)-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;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]-N-methoxy-N-methylhexanamide;5-[(3S,6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]pentyl 4-methylbenzenesulfonate has a molecular weight of 3177.03 g/mol, XLogP of 17.63, 57 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,6S,9R,12R)-3-butan-2-yl-9-(5-hydroxypentyl)-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-oxoheptyl)-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;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]-N-methoxy-N-methylhexanamide;5-[(3S,6S,9R,12R)-3-[(2R)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]pentyl 4-methylbenzenesulfonate is sourced from PubChem (CID 157192229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).