(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-3-diphenylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-dicyclohexylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoic acid

C65H100N12O14P2 — CID 10796511

About (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-3-diphenylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-dicyclohexylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoic acid

(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-3-diphenylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-dicyclohexylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoic acid (PubChem CID 10796511) has the molecular formula C65H100N12O14P2 and a molecular weight of 1335.53 g/mol. Its IUPAC name is (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-3-diphenylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-dicyclohexylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-3-diphenylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-dicyclohexylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoic acid
• PubChem CID: 10796511
• Molecular Formula: C65H100N12O14P2
• Molecular Weight: 1335.53 g/mol
• Exact Mass: 1334.70
• IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-3-diphenylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-dicyclohexylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoic acid
• SMILES: CC(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CP(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](CP(C1CCCCC1)C1CCCCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)O
• InChI: InChI=1S/C65H100N12O14P2/c1-37(69-57(85)49(35-92(45-27-19-15-20-28-45)46-29-21-16-22-30-46)73-53(81)39(3)71-60(89)63(9,10)75-54(82)40(4)66-44(8)78)51(79)68-42(6)56(84)77-65(13,14)62(91)74-50(36-93(47-31-23-17-24-32-47)48-33-25-18-26-34-48)58(86)70-38(2)52(80)67-41(5)55(83)76-64(11,12)61(90)72-43(7)59(87)88/h15-16,19-22,27-30,37-43,47-50H,17-18,23-26,31-36H2,1-14H3,(H,66,78)(H,67,80)(H,68,79)(H,69,85)(H,70,86)(H,71,89)(H,72,90)(H,73,81)(H,74,91)(H,75,82)(H,76,83)(H,77,84)(H,87,88)/t37-,38-,39-,40-,41-,42-,43-,49-,50-/m0/s1
• InChIKey: ILMGSIBHKMJXJT-RCGOFPBMSA-N
• XLogP: 1.56
• TPSA: 386.50 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 13
• Rotatable Bonds: 32
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1335.53
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-3-diphenylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-dicyclohexylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoic acid?

The IUPAC name of (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-3-diphenylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-dicyclohexylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoic acid (CID 10796511) is (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-3-diphenylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-dicyclohexylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoic acid.

What is the SMILES notation for (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-3-diphenylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-dicyclohexylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoic acid?

The canonical SMILES for (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-3-diphenylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-dicyclohexylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoic acid is CC(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CP(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](CP(C1CCCCC1)C1CCCCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)O.

What is the InChIKey of (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-3-diphenylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-dicyclohexylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoic acid?

The InChIKey is ILMGSIBHKMJXJT-RCGOFPBMSA-N. The full InChI is InChI=1S/C65H100N12O14P2/c1-37(69-57(85)49(35-92(45-27-19-15-20-28-45)46-29-21-16-22-30-46)73-53(81)39(3)71-60(89)63(9,10)75-54(82)40(4)66-44(8)78)51(79)68-42(6)56(84)77-65(13,14)62(91)74-50(36-93(47-31-23-17-24-32-47)48-33-25-18-26-34-48)58(86)70-38(2)52(80)67-41(5)55(83)76-64(11,12)61(90)72-43(7)59(87)88/h15-16,19-22,27-30,37-43,47-50H,17-18,23-26,31-36H2,1-14H3,(H,66,78)(H,67,80)(H,68,79)(H,69,85)(H,70,86)(H,71,89)(H,72,90)(H,73,81)(H,74,91)(H,75,82)(H,76,83)(H,77,84)(H,87,88)/t37-,38-,39-,40-,41-,42-,43-,49-,50-/m0/s1.

What are the key properties of (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-3-diphenylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-dicyclohexylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoic acid?

(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-3-diphenylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-dicyclohexylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoic acid has a molecular weight of 1335.53 g/mol, XLogP of 1.56, 32 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-3-diphenylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-dicyclohexylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoic acid is sourced from PubChem (CID 10796511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).