(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid

C33H60N8O11 — CID 10440021

About (2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid

(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid (PubChem CID 10440021) has the molecular formula C33H60N8O11 and a molecular weight of 744.89 g/mol. Its IUPAC name is (2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid.

Molecular Properties

• Compound Name: (2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid
• PubChem CID: 10440021
• Molecular Formula: C33H60N8O11
• Molecular Weight: 744.89 g/mol
• Exact Mass: 744.44
• IUPAC Name: (2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid
• SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
• InChI: InChI=1S/C33H60N8O11/c1-5-19(4)27(33(51)52)41-31(49)22(11-7-9-15-35)38-32(50)24(16-18(2)3)40-30(48)23(12-13-25(42)43)39-29(47)21(10-6-8-14-34)37-28(46)20(36)17-26(44)45/h18-24,27H,5-17,34-36H2,1-4H3,(H,37,46)(H,38,50)(H,39,47)(H,40,48)(H,41,49)(H,42,43)(H,44,45)(H,51,52)/t19-,20-,21-,22-,23-,24-,27-/m0/s1
• InChIKey: UBJFLJMYAVAKTO-YAWPFAPOSA-N
• XLogP: -1.49
• TPSA: 335.46 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 11
• Rotatable Bonds: 28
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	744.89
LogP ≤ 5	-1.49
H-Bond Donors ≤ 5	11
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,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid?

The IUPAC name of (2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid (CID 10440021) is (2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid.

What is the SMILES notation for (2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid?

The canonical SMILES for (2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid is CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)C(=O)O.

What is the InChIKey of (2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid?

The InChIKey is UBJFLJMYAVAKTO-YAWPFAPOSA-N. The full InChI is InChI=1S/C33H60N8O11/c1-5-19(4)27(33(51)52)41-31(49)22(11-7-9-15-35)38-32(50)24(16-18(2)3)40-30(48)23(12-13-25(42)43)39-29(47)21(10-6-8-14-34)37-28(46)20(36)17-26(44)45/h18-24,27H,5-17,34-36H2,1-4H3,(H,37,46)(H,38,50)(H,39,47)(H,40,48)(H,41,49)(H,42,43)(H,44,45)(H,51,52)/t19-,20-,21-,22-,23-,24-,27-/m0/s1.

What are the key properties of (2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid?

(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid has a molecular weight of 744.89 g/mol, XLogP of -1.49, 28 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 10440021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).