(2R)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-naphthalen-1-ylpropanoic acid

C65H87N13O12 — CID 10374171

About (2R)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-naphthalen-1-ylpropanoic acid

(2R)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-naphthalen-1-ylpropanoic acid (PubChem CID 10374171) has the molecular formula C65H87N13O12 and a molecular weight of 1242.49 g/mol. Its IUPAC name is (2R)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-naphthalen-1-ylpropanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-naphthalen-1-ylpropanoic acid
• PubChem CID: 10374171
• Molecular Formula: C65H87N13O12
• Molecular Weight: 1242.49 g/mol
• Exact Mass: 1241.66
• IUPAC Name: (2R)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-naphthalen-1-ylpropanoic acid
• SMILES: CC(C)C[C@@H](NC(=O)[C@H](N)CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)O
• InChI: InChI=1S/C65H87N13O12/c1-38(2)33-50(74-58(82)47(68)27-11-13-31-66)61(85)75-51(34-40-17-5-4-6-18-40)62(86)77-53(37-56(70)80)64(88)76-52(35-43-23-15-21-41-19-7-9-25-45(41)43)63(87)73-49(29-30-55(69)79)59(83)71-39(3)57(81)72-48(28-12-14-32-67)60(84)78-54(65(89)90)36-44-24-16-22-42-20-8-10-26-46(42)44/h4-10,15-26,38-39,47-54H,11-14,27-37,66-68H2,1-3H3,(H2,69,79)(H2,70,80)(H,71,83)(H,72,81)(H,73,87)(H,74,82)(H,75,85)(H,76,88)(H,77,86)(H,78,84)(H,89,90)/t39-,47+,48+,49-,50+,51-,52-,53-,54+/m0/s1
• InChIKey: LBVUIZKUZDCUCD-GAVKVLLTSA-N
• XLogP: 0.78
• TPSA: 434.34 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 14
• Rotatable Bonds: 38
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1242.49
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-naphthalen-1-ylpropanoic acid?

The IUPAC name of (2R)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-naphthalen-1-ylpropanoic acid (CID 10374171) is (2R)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-naphthalen-1-ylpropanoic acid.

What is the SMILES notation for (2R)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-naphthalen-1-ylpropanoic acid?

The canonical SMILES for (2R)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-naphthalen-1-ylpropanoic acid is CC(C)C[C@@H](NC(=O)[C@H](N)CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)O.

What is the InChIKey of (2R)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-naphthalen-1-ylpropanoic acid?

The InChIKey is LBVUIZKUZDCUCD-GAVKVLLTSA-N. The full InChI is InChI=1S/C65H87N13O12/c1-38(2)33-50(74-58(82)47(68)27-11-13-31-66)61(85)75-51(34-40-17-5-4-6-18-40)62(86)77-53(37-56(70)80)64(88)76-52(35-43-23-15-21-41-19-7-9-25-45(41)43)63(87)73-49(29-30-55(69)79)59(83)71-39(3)57(81)72-48(28-12-14-32-67)60(84)78-54(65(89)90)36-44-24-16-22-42-20-8-10-26-46(42)44/h4-10,15-26,38-39,47-54H,11-14,27-37,66-68H2,1-3H3,(H2,69,79)(H2,70,80)(H,71,83)(H,72,81)(H,73,87)(H,74,82)(H,75,85)(H,76,88)(H,77,86)(H,78,84)(H,89,90)/t39-,47+,48+,49-,50+,51-,52-,53-,54+/m0/s1.

What are the key properties of (2R)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-naphthalen-1-ylpropanoic acid?

(2R)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-naphthalen-1-ylpropanoic acid has a molecular weight of 1242.49 g/mol, XLogP of 0.78, 38 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 10374171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).