[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-oxo-1-[(2-oxo-2-prop-2-enoxyethyl)amino]pentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]azanium;2,2,2-trifluoroacetate

C37H63F3N8O11 — CID 11147266

About [(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-oxo-1-[(2-oxo-2-prop-2-enoxyethyl)amino]pentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]azanium;2,2,2-trifluoroacetate

[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-oxo-1-[(2-oxo-2-prop-2-enoxyethyl)amino]pentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]azanium;2,2,2-trifluoroacetate (PubChem CID 11147266) has the molecular formula C37H63F3N8O11 and a molecular weight of 852.95 g/mol. Its IUPAC name is [(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-oxo-1-[(2-oxo-2-prop-2-enoxyethyl)amino]pentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]azanium;2,2,2-trifluoroacetate.

Molecular Properties

• Compound Name: [(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-oxo-1-[(2-oxo-2-prop-2-enoxyethyl)amino]pentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]azanium;2,2,2-trifluoroacetate
• PubChem CID: 11147266
• Molecular Formula: C37H63F3N8O11
• Molecular Weight: 852.95 g/mol
• Exact Mass: 852.46
• IUPAC Name: [(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-oxo-1-[(2-oxo-2-prop-2-enoxyethyl)amino]pentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]azanium;2,2,2-trifluoroacetate
• SMILES: C=CCOC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]([NH3+])CC(C)C.O=C([O-])C(F)(F)F
• InChI: InChI=1S/C35H62N8O9.C2HF3O2/c1-10-11-52-31(47)19-40-35(51)27(15-23(8)9)43-30(46)18-39-34(50)26(14-22(6)7)42-29(45)17-38-33(49)25(13-21(4)5)41-28(44)16-37-32(48)24(36)12-20(2)3;3-2(4,5)1(6)7/h10,20-27H,1,11-19,36H2,2-9H3,(H,37,48)(H,38,49)(H,39,50)(H,40,51)(H,41,44)(H,42,45)(H,43,46);(H,6,7)/t24-,25-,26-,27-;/m0./s1
• InChIKey: JLTBCETUQSSWGK-LQHVCSEWSA-N
• XLogP: -2.27
• TPSA: 297.77 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 25
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	852.95
LogP ≤ 5	-2.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-oxo-1-[(2-oxo-2-prop-2-enoxyethyl)amino]pentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]azanium;2,2,2-trifluoroacetate?

The IUPAC name of [(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-oxo-1-[(2-oxo-2-prop-2-enoxyethyl)amino]pentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]azanium;2,2,2-trifluoroacetate (CID 11147266) is [(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-oxo-1-[(2-oxo-2-prop-2-enoxyethyl)amino]pentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]azanium;2,2,2-trifluoroacetate.

What is the SMILES notation for [(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-oxo-1-[(2-oxo-2-prop-2-enoxyethyl)amino]pentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]azanium;2,2,2-trifluoroacetate?

The canonical SMILES for [(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-oxo-1-[(2-oxo-2-prop-2-enoxyethyl)amino]pentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]azanium;2,2,2-trifluoroacetate is C=CCOC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]([NH3+])CC(C)C.O=C([O-])C(F)(F)F.

What is the InChIKey of [(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-oxo-1-[(2-oxo-2-prop-2-enoxyethyl)amino]pentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]azanium;2,2,2-trifluoroacetate?

The InChIKey is JLTBCETUQSSWGK-LQHVCSEWSA-N. The full InChI is InChI=1S/C35H62N8O9.C2HF3O2/c1-10-11-52-31(47)19-40-35(51)27(15-23(8)9)43-30(46)18-39-34(50)26(14-22(6)7)42-29(45)17-38-33(49)25(13-21(4)5)41-28(44)16-37-32(48)24(36)12-20(2)3;3-2(4,5)1(6)7/h10,20-27H,1,11-19,36H2,2-9H3,(H,37,48)(H,38,49)(H,39,50)(H,40,51)(H,41,44)(H,42,45)(H,43,46);(H,6,7)/t24-,25-,26-,27-;/m0./s1.

What are the key properties of [(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-oxo-1-[(2-oxo-2-prop-2-enoxyethyl)amino]pentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]azanium;2,2,2-trifluoroacetate?

[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-oxo-1-[(2-oxo-2-prop-2-enoxyethyl)amino]pentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]azanium;2,2,2-trifluoroacetate has a molecular weight of 852.95 g/mol, XLogP of -2.27, 25 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-oxo-1-[(2-oxo-2-prop-2-enoxyethyl)amino]pentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]azanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 11147266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).