(2R)-4-methyl-2-(methylamino)-N-[(2R)-3-methyl-1-[methyl-[(2R)-4-methyl-1-[[(2R)-1-[[(2R)-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]pentanamide

C45H84N8O8 — CID 174566953

About (2R)-4-methyl-2-(methylamino)-N-[(2R)-3-methyl-1-[methyl-[(2R)-4-methyl-1-[[(2R)-1-[[(2R)-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]pentanamide

(2R)-4-methyl-2-(methylamino)-N-[(2R)-3-methyl-1-[methyl-[(2R)-4-methyl-1-[[(2R)-1-[[(2R)-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]pentanamide (PubChem CID 174566953) has the molecular formula C45H84N8O8 and a molecular weight of 865.21 g/mol. Its IUPAC name is (2R)-4-methyl-2-(methylamino)-N-[(2R)-3-methyl-1-[methyl-[(2R)-4-methyl-1-[[(2R)-1-[[(2R)-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]pentanamide.

Molecular Properties

• Compound Name: (2R)-4-methyl-2-(methylamino)-N-[(2R)-3-methyl-1-[methyl-[(2R)-4-methyl-1-[[(2R)-1-[[(2R)-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]pentanamide
• PubChem CID: 174566953
• Molecular Formula: C45H84N8O8
• Molecular Weight: 865.21 g/mol
• Exact Mass: 864.64
• IUPAC Name: (2R)-4-methyl-2-(methylamino)-N-[(2R)-3-methyl-1-[methyl-[(2R)-4-methyl-1-[[(2R)-1-[[(2R)-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]pentanamide
• SMILES: CN[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](C=O)C(C)C)C(C)C
• InChI: InChI=1S/C45H84N8O8/c1-25(2)20-33(46-15)40(56)49-38(30(11)12)45(61)50(16)34(21-26(3)4)41(57)47-31(13)39(55)48-32(14)42(58)51(17)35(22-27(5)6)43(59)52(18)36(23-28(7)8)44(60)53(19)37(24-54)29(9)10/h24-38,46H,20-23H2,1-19H3,(H,47,57)(H,48,55)(H,49,56)/t31-,32-,33-,34-,35+,36+,37-,38-/m1/s1
• InChIKey: SBCCQJBUEUEFKP-LAFNQVRVSA-N
• XLogP: 3.07
• TPSA: 197.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 26
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	865.21
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(methylamino)-N-[(2R)-3-methyl-1-[methyl-[(2R)-4-methyl-1-[[(2R)-1-[[(2R)-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]pentanamide?

The IUPAC name of (2R)-4-methyl-2-(methylamino)-N-[(2R)-3-methyl-1-[methyl-[(2R)-4-methyl-1-[[(2R)-1-[[(2R)-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]pentanamide (CID 174566953) is (2R)-4-methyl-2-(methylamino)-N-[(2R)-3-methyl-1-[methyl-[(2R)-4-methyl-1-[[(2R)-1-[[(2R)-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]pentanamide.

What is the SMILES notation for (2R)-4-methyl-2-(methylamino)-N-[(2R)-3-methyl-1-[methyl-[(2R)-4-methyl-1-[[(2R)-1-[[(2R)-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]pentanamide?

The canonical SMILES for (2R)-4-methyl-2-(methylamino)-N-[(2R)-3-methyl-1-[methyl-[(2R)-4-methyl-1-[[(2R)-1-[[(2R)-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]pentanamide is CN[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](C=O)C(C)C)C(C)C.

What is the InChIKey of (2R)-4-methyl-2-(methylamino)-N-[(2R)-3-methyl-1-[methyl-[(2R)-4-methyl-1-[[(2R)-1-[[(2R)-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]pentanamide?

The InChIKey is SBCCQJBUEUEFKP-LAFNQVRVSA-N. The full InChI is InChI=1S/C45H84N8O8/c1-25(2)20-33(46-15)40(56)49-38(30(11)12)45(61)50(16)34(21-26(3)4)41(57)47-31(13)39(55)48-32(14)42(58)51(17)35(22-27(5)6)43(59)52(18)36(23-28(7)8)44(60)53(19)37(24-54)29(9)10/h24-38,46H,20-23H2,1-19H3,(H,47,57)(H,48,55)(H,49,56)/t31-,32-,33-,34-,35+,36+,37-,38-/m1/s1.

What are the key properties of (2R)-4-methyl-2-(methylamino)-N-[(2R)-3-methyl-1-[methyl-[(2R)-4-methyl-1-[[(2R)-1-[[(2R)-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]pentanamide?

(2R)-4-methyl-2-(methylamino)-N-[(2R)-3-methyl-1-[methyl-[(2R)-4-methyl-1-[[(2R)-1-[[(2R)-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]pentanamide has a molecular weight of 865.21 g/mol, XLogP of 3.07, 26 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-methyl-2-(methylamino)-N-[(2R)-3-methyl-1-[methyl-[(2R)-4-methyl-1-[[(2R)-1-[[(2R)-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]pentanamide is sourced from PubChem (CID 174566953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).