(2S,3S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoic acid

C43H79N9O11S — CID 134824908

About (2S,3S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoic acid

(2S,3S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoic acid (PubChem CID 134824908) has the molecular formula C43H79N9O11S and a molecular weight of 930.22 g/mol. Its IUPAC name is (2S,3S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoic acid.

Molecular Properties

• Compound Name: (2S,3S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoic acid
• PubChem CID: 134824908
• Molecular Formula: C43H79N9O11S
• Molecular Weight: 930.22 g/mol
• Exact Mass: 929.56
• IUPAC Name: (2S,3S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoic acid
• SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC
• InChI: InChI=1S/C43H79N9O11S/c1-11-23(7)32(45)40(59)49-30(21-64)39(58)48-29(20-22(5)6)38(57)46-28(17-18-31(53)54)37(56)50-34(25(9)13-3)42(61)51-33(24(8)12-2)41(60)47-27(16-15-19-44)36(55)52-35(43(62)63)26(10)14-4/h22-30,32-35,64H,11-21,44-45H2,1-10H3,(H,46,57)(H,47,60)(H,48,58)(H,49,59)(H,50,56)(H,51,61)(H,52,55)(H,53,54)(H,62,63)/t23-,24-,25-,26-,27-,28-,29-,30-,32-,33-,34-,35-/m0/s1
• InChIKey: BUFCWYYMJHIIJP-AMERGPMZSA-N
• XLogP: 0.56
• TPSA: 330.34 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 12
• Rotatable Bonds: 32
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	930.22
LogP ≤ 5	0.56
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoic acid?

The IUPAC name of (2S,3S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoic acid (CID 134824908) is (2S,3S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoic acid.

What is the SMILES notation for (2S,3S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoic acid?

The canonical SMILES for (2S,3S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoic acid is CC[C@H](C)[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC.

What is the InChIKey of (2S,3S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoic acid?

The InChIKey is BUFCWYYMJHIIJP-AMERGPMZSA-N. The full InChI is InChI=1S/C43H79N9O11S/c1-11-23(7)32(45)40(59)49-30(21-64)39(58)48-29(20-22(5)6)38(57)46-28(17-18-31(53)54)37(56)50-34(25(9)13-3)42(61)51-33(24(8)12-2)41(60)47-27(16-15-19-44)36(55)52-35(43(62)63)26(10)14-4/h22-30,32-35,64H,11-21,44-45H2,1-10H3,(H,46,57)(H,47,60)(H,48,58)(H,49,59)(H,50,56)(H,51,61)(H,52,55)(H,53,54)(H,62,63)/t23-,24-,25-,26-,27-,28-,29-,30-,32-,33-,34-,35-/m0/s1.

What are the key properties of (2S,3S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoic acid?

(2S,3S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoic acid has a molecular weight of 930.22 g/mol, XLogP of 0.56, 32 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 134824908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).