(2S)-N-[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[3-(dimethylamino)propylamino]-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]-2-[formyl-[(2S)-1-hexanoylpyrrolidin-2-yl]amino]decanamide

C59H109N11O10 — CID 135203007

About (2S)-N-[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[3-(dimethylamino)propylamino]-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]-2-[formyl-[(2S)-1-hexanoylpyrrolidin-2-yl]amino]decanamide

(2S)-N-[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[3-(dimethylamino)propylamino]-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]-2-[formyl-[(2S)-1-hexanoylpyrrolidin-2-yl]amino]decanamide (PubChem CID 135203007) has the molecular formula C59H109N11O10 and a molecular weight of 1132.59 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[3-(dimethylamino)propylamino]-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]-2-[formyl-[(2S)-1-hexanoylpyrrolidin-2-yl]amino]decanamide.

Molecular Properties

• Compound Name: (2S)-N-[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[3-(dimethylamino)propylamino]-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]-2-[formyl-[(2S)-1-hexanoylpyrrolidin-2-yl]amino]decanamide
• PubChem CID: 135203007
• Molecular Formula: C59H109N11O10
• Molecular Weight: 1132.59 g/mol
• Exact Mass: 1131.84
• IUPAC Name: (2S)-N-[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[3-(dimethylamino)propylamino]-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]-2-[formyl-[(2S)-1-hexanoylpyrrolidin-2-yl]amino]decanamide
• SMILES: CCCCCCCC[C@@H](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)NCCCN(C)C)N(C=O)[C@@H]1CCCN1C(=O)CCCCC
• InChI: InChI=1S/C59H109N11O10/c1-17-19-21-22-23-25-28-46(70(39-71)48-29-26-35-69(48)49(73)30-24-20-18-2)53(77)63-45(38-42(7)8)52(76)65-58(11,12)55(79)64-43(36-40(3)4)50(74)62-44(37-41(5)6)51(75)66-59(13,14)56(80)67-57(9,10)54(78)61-33-31-47(72)60-32-27-34-68(15)16/h39-46,48H,17-38H2,1-16H3,(H,60,72)(H,61,78)(H,62,74)(H,63,77)(H,64,79)(H,65,76)(H,66,75)(H,67,80)/t43-,44-,45-,46-,48+/m0/s1
• InChIKey: UBSIWOBXQYEMLM-LDIRSGHHSA-N
• XLogP: 4.94
• TPSA: 276.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 40
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1132.59
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[3-(dimethylamino)propylamino]-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]-2-[formyl-[(2S)-1-hexanoylpyrrolidin-2-yl]amino]decanamide?

The IUPAC name of (2S)-N-[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[3-(dimethylamino)propylamino]-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]-2-[formyl-[(2S)-1-hexanoylpyrrolidin-2-yl]amino]decanamide (CID 135203007) is (2S)-N-[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[3-(dimethylamino)propylamino]-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]-2-[formyl-[(2S)-1-hexanoylpyrrolidin-2-yl]amino]decanamide.

What is the SMILES notation for (2S)-N-[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[3-(dimethylamino)propylamino]-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]-2-[formyl-[(2S)-1-hexanoylpyrrolidin-2-yl]amino]decanamide?

The canonical SMILES for (2S)-N-[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[3-(dimethylamino)propylamino]-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]-2-[formyl-[(2S)-1-hexanoylpyrrolidin-2-yl]amino]decanamide is CCCCCCCC[C@@H](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)NCCCN(C)C)N(C=O)[C@@H]1CCCN1C(=O)CCCCC.

What is the InChIKey of (2S)-N-[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[3-(dimethylamino)propylamino]-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]-2-[formyl-[(2S)-1-hexanoylpyrrolidin-2-yl]amino]decanamide?

The InChIKey is UBSIWOBXQYEMLM-LDIRSGHHSA-N. The full InChI is InChI=1S/C59H109N11O10/c1-17-19-21-22-23-25-28-46(70(39-71)48-29-26-35-69(48)49(73)30-24-20-18-2)53(77)63-45(38-42(7)8)52(76)65-58(11,12)55(79)64-43(36-40(3)4)50(74)62-44(37-41(5)6)51(75)66-59(13,14)56(80)67-57(9,10)54(78)61-33-31-47(72)60-32-27-34-68(15)16/h39-46,48H,17-38H2,1-16H3,(H,60,72)(H,61,78)(H,62,74)(H,63,77)(H,64,79)(H,65,76)(H,66,75)(H,67,80)/t43-,44-,45-,46-,48+/m0/s1.

What are the key properties of (2S)-N-[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[3-(dimethylamino)propylamino]-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]-2-[formyl-[(2S)-1-hexanoylpyrrolidin-2-yl]amino]decanamide?

(2S)-N-[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[3-(dimethylamino)propylamino]-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]-2-[formyl-[(2S)-1-hexanoylpyrrolidin-2-yl]amino]decanamide has a molecular weight of 1132.59 g/mol, XLogP of 4.94, 40 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[3-(dimethylamino)propylamino]-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]-2-[formyl-[(2S)-1-hexanoylpyrrolidin-2-yl]amino]decanamide is sourced from PubChem (CID 135203007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).