(2R)-2-amino-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-sulfanylpropanamide

C18H35N5O8S — CID 58661398

About (2R)-2-amino-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-sulfanylpropanamide

(2R)-2-amino-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-sulfanylpropanamide (PubChem CID 58661398) has the molecular formula C18H35N5O8S and a molecular weight of 481.57 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-sulfanylpropanamide.

Molecular Properties

• Compound Name: (2R)-2-amino-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-sulfanylpropanamide
• PubChem CID: 58661398
• Molecular Formula: C18H35N5O8S
• Molecular Weight: 481.57 g/mol
• Exact Mass: 481.22
• IUPAC Name: (2R)-2-amino-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-sulfanylpropanamide
• SMILES: CNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CNC(=O)[C@@H](N)CS
• InChI: InChI=1S/C18H35N5O8S/c1-20-16(25)11-30-8-6-29-5-3-22-17(26)12-31-9-7-28-4-2-21-15(24)10-23-18(27)14(19)13-32/h14,32H,2-13,19H2,1H3,(H,20,25)(H,21,24)(H,22,26)(H,23,27)/t14-/m0/s1
• InChIKey: AIJOKKKIVSQNGY-AWEZNQCLSA-N
• XLogP: -3.60
• TPSA: 179.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.57
LogP ≤ 5	-3.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-sulfanylpropanamide?

The IUPAC name of (2R)-2-amino-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-sulfanylpropanamide (CID 58661398) is (2R)-2-amino-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-sulfanylpropanamide.

What is the SMILES notation for (2R)-2-amino-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-sulfanylpropanamide?

The canonical SMILES for (2R)-2-amino-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-sulfanylpropanamide is CNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CNC(=O)[C@@H](N)CS.

What is the InChIKey of (2R)-2-amino-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-sulfanylpropanamide?

The InChIKey is AIJOKKKIVSQNGY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H35N5O8S/c1-20-16(25)11-30-8-6-29-5-3-22-17(26)12-31-9-7-28-4-2-21-15(24)10-23-18(27)14(19)13-32/h14,32H,2-13,19H2,1H3,(H,20,25)(H,21,24)(H,22,26)(H,23,27)/t14-/m0/s1.

What are the key properties of (2R)-2-amino-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-sulfanylpropanamide?

(2R)-2-amino-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-sulfanylpropanamide has a molecular weight of 481.57 g/mol, XLogP of -3.60, 20 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 58661398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).