(2S)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide

C63H115N11O10 — CID 135203206

About (2S)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide

(2S)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide (PubChem CID 135203206) has the molecular formula C63H115N11O10 and a molecular weight of 1186.68 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide
• PubChem CID: 135203206
• Molecular Formula: C63H115N11O10
• Molecular Weight: 1186.68 g/mol
• Exact Mass: 1185.88
• IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide
• SMILES: CCCCCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCCC)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NCCN1CC(C)CC(C)C1
• InChI: InChI=1S/C63H115N11O10/c1-17-19-21-22-23-25-27-46(66-57(81)50-28-26-33-74(50)52(76)29-24-20-18-2)53(77)67-48(36-42(5)6)55(79)70-62(13,14)59(83)69-47(35-41(3)4)54(78)68-49(37-43(7)8)56(80)71-63(15,16)60(84)72-61(11,12)58(82)65-31-30-51(75)64-32-34-73-39-44(9)38-45(10)40-73/h41-50H,17-40H2,1-16H3,(H,64,75)(H,65,82)(H,66,81)(H,67,77)(H,68,78)(H,69,83)(H,70,79)(H,71,80)(H,72,84)/t44?,45?,46-,47-,48-,49-,50-/m0/s1
• InChIKey: SDMIQAHXEMCOTB-FDEZWWJZSA-N
• XLogP: 5.67
• TPSA: 285.45 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 11
• Rotatable Bonds: 38
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1186.68
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide?

The IUPAC name of (2S)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide (CID 135203206) is (2S)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide is CCCCCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCCC)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NCCN1CC(C)CC(C)C1.

What is the InChIKey of (2S)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide?

The InChIKey is SDMIQAHXEMCOTB-FDEZWWJZSA-N. The full InChI is InChI=1S/C63H115N11O10/c1-17-19-21-22-23-25-27-46(66-57(81)50-28-26-33-74(50)52(76)29-24-20-18-2)53(77)67-48(36-42(5)6)55(79)70-62(13,14)59(83)69-47(35-41(3)4)54(78)68-49(37-43(7)8)56(80)71-63(15,16)60(84)72-61(11,12)58(82)65-31-30-51(75)64-32-34-73-39-44(9)38-45(10)40-73/h41-50H,17-40H2,1-16H3,(H,64,75)(H,65,82)(H,66,81)(H,67,77)(H,68,78)(H,69,83)(H,70,79)(H,71,80)(H,72,84)/t44?,45?,46-,47-,48-,49-,50-/m0/s1.

What are the key properties of (2S)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide?

(2S)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide has a molecular weight of 1186.68 g/mol, XLogP of 5.67, 38 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 135203206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).