(2R)-3-aminosulfanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propanoic acid

About (2R)-3-aminosulfanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propanoic acid

(2R)-3-aminosulfanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propanoic acid (PubChem CID 163825739) has the molecular formula C23H47N3O11S and a molecular weight of 573.71 g/mol. Its IUPAC name is (2R)-3-aminosulfanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propanoic acid.

Molecular Properties

Compound Name	(2R)-3-aminosulfanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propanoic acid
PubChem CID	163825739
Molecular Formula	C23H47N3O11S
Molecular Weight	573.71 g/mol
Exact Mass	573.29
IUPAC Name	(2R)-3-aminosulfanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propanoic acid
SMILES	CNCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](CSN)C(=O)O
InChI	InChI=1S/C23H47N3O11S/c1-25-3-5-31-7-9-33-11-13-35-15-17-37-19-18-36-16-14-34-12-10-32-8-6-30-4-2-22(27)26-21(20-38-24)23(28)29/h21,25H,2-20,24H2,1H3,(H,26,27)(H,28,29)/t21-/m0/s1
InChIKey	NZHYNYCDGRKAJZ-NRFANRHFSA-N
XLogP	-1.10
TPSA	178.29 Å²
H-Bond Donors	4
H-Bond Acceptors	13
Rotatable Bonds	31
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.71
LogP ≤ 5	-1.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R)-3-aminosulfanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propanoic acid?

The IUPAC name of (2R)-3-aminosulfanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propanoic acid (CID 163825739) is (2R)-3-aminosulfanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propanoic acid.

What is the SMILES notation for (2R)-3-aminosulfanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propanoic acid?

The canonical SMILES for (2R)-3-aminosulfanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propanoic acid is CNCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](CSN)C(=O)O.

What is the InChIKey of (2R)-3-aminosulfanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propanoic acid?

The InChIKey is NZHYNYCDGRKAJZ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H47N3O11S/c1-25-3-5-31-7-9-33-11-13-35-15-17-37-19-18-36-16-14-34-12-10-32-8-6-30-4-2-22(27)26-21(20-38-24)23(28)29/h21,25H,2-20,24H2,1H3,(H,26,27)(H,28,29)/t21-/m0/s1.

What are the key properties of (2R)-3-aminosulfanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propanoic acid?

(2R)-3-aminosulfanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propanoic acid has a molecular weight of 573.71 g/mol, XLogP of -1.10, 31 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-aminosulfanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propanoic acid is sourced from PubChem (CID 163825739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).