2-[[2-[[2-[[2-[[2-[[2-[[2-(carboxymethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]disulfanyl]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid

C16H24N6O10S2 — CID 11466616

About 2-[[2-[[2-[[2-[[2-[[2-[[2-(carboxymethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]disulfanyl]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-[[2-[[2-[[2-[[2-(carboxymethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]disulfanyl]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid (PubChem CID 11466616) has the molecular formula C16H24N6O10S2 and a molecular weight of 524.53 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[[2-[[2-[[2-(carboxymethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]disulfanyl]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-(carboxymethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]disulfanyl]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
• PubChem CID: 11466616
• Molecular Formula: C16H24N6O10S2
• Molecular Weight: 524.53 g/mol
• Exact Mass: 524.10
• IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-(carboxymethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]disulfanyl]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
• SMILES: O=C(O)CNC(=O)CNC(=O)CNC(=O)CSSCC(=O)NCC(=O)NCC(=O)NCC(=O)O
• InChI: InChI=1S/C16H24N6O10S2/c23-9(17-1-11(25)21-5-15(29)30)3-19-13(27)7-33-34-8-14(28)20-4-10(24)18-2-12(26)22-6-16(31)32/h1-8H2,(H,17,23)(H,18,24)(H,19,27)(H,20,28)(H,21,25)(H,22,26)(H,29,30)(H,31,32)
• InChIKey: XRSOZBBDAIUDKH-UHFFFAOYSA-N
• XLogP: -4.77
• TPSA: 249.20 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.53
LogP ≤ 5	-4.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-[[2-[[2-[[2-(carboxymethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]disulfanyl]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?

The IUPAC name of 2-[[2-[[2-[[2-[[2-[[2-[[2-(carboxymethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]disulfanyl]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid (CID 11466616) is 2-[[2-[[2-[[2-[[2-[[2-[[2-(carboxymethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]disulfanyl]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid.

What is the SMILES notation for 2-[[2-[[2-[[2-[[2-[[2-[[2-(carboxymethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]disulfanyl]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?

The canonical SMILES for 2-[[2-[[2-[[2-[[2-[[2-[[2-(carboxymethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]disulfanyl]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)CNC(=O)CSSCC(=O)NCC(=O)NCC(=O)NCC(=O)O.

What is the InChIKey of 2-[[2-[[2-[[2-[[2-[[2-[[2-(carboxymethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]disulfanyl]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?

The InChIKey is XRSOZBBDAIUDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O10S2/c23-9(17-1-11(25)21-5-15(29)30)3-19-13(27)7-33-34-8-14(28)20-4-10(24)18-2-12(26)22-6-16(31)32/h1-8H2,(H,17,23)(H,18,24)(H,19,27)(H,20,28)(H,21,25)(H,22,26)(H,29,30)(H,31,32).

What are the key properties of 2-[[2-[[2-[[2-[[2-[[2-[[2-(carboxymethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]disulfanyl]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?

2-[[2-[[2-[[2-[[2-[[2-[[2-(carboxymethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]disulfanyl]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 524.53 g/mol, XLogP of -4.77, 17 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-[[2-[[2-[[2-[[2-(carboxymethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]disulfanyl]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 11466616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).