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

C24H48N2O11S — CID 59197808

IUPAC(2R)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylsulfanylpropanoic acid
SMILESCNCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](CSC)C(=O)O
InChIInChI=1S/C24H48N2O11S/c1-25-4-6-31-8-10-33-12-14-35-16-18-37-20-19-36-17-15-34-13-11-32-9-7-30-5-3-23(27)26-22(21-38-2)24(28)29/h22,25H,3-21H2,1-2H3,(H,26,27)(H,28,29)/t22-/m0/s1
InChIKeyMFNXMSPXVOPICD-QFIPXVFZSA-N
MW572.72 g/mol
LogP-0.34
Rot. Bonds31

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

(2R)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylsulfanylpropanoic acid (PubChem CID 59197808) has the molecular formula C24H48N2O11S and a molecular weight of 572.72 g/mol. Its IUPAC name is (2R)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylsulfanylpropanoic acid
PubChem CID59197808
Molecular FormulaC24H48N2O11S
Molecular Weight572.72 g/mol
Exact Mass572.30
IUPAC Name(2R)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylsulfanylpropanoic acid
SMILESCNCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](CSC)C(=O)O
InChIInChI=1S/C24H48N2O11S/c1-25-4-6-31-8-10-33-12-14-35-16-18-37-20-19-36-17-15-34-13-11-32-9-7-30-5-3-23(27)26-22(21-38-2)24(28)29/h22,25H,3-21H2,1-2H3,(H,26,27)(H,28,29)/t22-/m0/s1
InChIKeyMFNXMSPXVOPICD-QFIPXVFZSA-N
XLogP-0.34
TPSA152.27 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds31
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.72
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (2R)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylsulfanylpropanoic acid with MolForge

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Related Compounds

(2S)-2-[[(2R)-2-amino-3-[(2R)-2,3-bis[[2-[3-[2-(2-ethoxyethoxy)ethoxy]propylamino]acetyl]oxy]propyl]sulfanylpropanoyl]amino]-3-hydroxypropanoic acid
CID 56850131
(2R)-2-acetamido-3-[3-[2-[2-[3-[[(2R)-2-acetamido-2-carboxyethyl]sulfanylcarbothioylamino]propoxy]ethoxy]ethoxy]propylcarbamothioylsulfanyl]propanoic acid
CID 127035819
l-Seryl-l-methionine methyl ester
CID 15575143
Me-D-Ser(1)-Gly-OH.Me-D-Ser(2)-Gly-OH.Me-Cys(3)-N(Me)Cys(Me)-(2).Me-Cys(3)-N(Me)Cys(Me)-(1)
CID 134836432
Methyl 2-[2-amino-3-(methylsulfanyl)propanamido]-3-hydroxypropanoate
CID 146049789
Methyl 2-[(2-acetamido-3-methylsulfanylpropanoyl)amino]-3-hydroxypropanoate
CID 58969185
H-DL-Ala-xiThr(tBu)(tBu)-Ser(tBu)-Cys(Acm)-OH
CID 88798682
H-Ala-Thr(tBu)-Ser(tBu)-Cys(Acm)-OH
CID 88798686
3-[2-[2-[2-[[(2R)-2-amino-3-[(2R)-2,3-dimethoxypropyl]sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 89435086
3-[2-[2-[2-[[(2S)-2-[[(2R)-2-amino-3-[(2R)-2,3-diacetyloxypropyl]sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 89435094
3-[2-[2-[2-[[(2R)-3-[(2R)-2-acetamido-3-methoxypropyl]sulfanyl-2-aminopropanoyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 89435102
3-[2-[2-[2-[[(2R)-2-amino-3-[(2R)-2,3-diacetyloxypropyl]sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 89435153

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylsulfanylpropanoic acid?
The IUPAC name of (2R)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylsulfanylpropanoic acid (CID 59197808) is (2R)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylsulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylsulfanylpropanoic acid?
The canonical SMILES for (2R)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylsulfanylpropanoic acid is CNCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](CSC)C(=O)O.
What is the InChIKey of (2R)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylsulfanylpropanoic acid?
The InChIKey is MFNXMSPXVOPICD-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H48N2O11S/c1-25-4-6-31-8-10-33-12-14-35-16-18-37-20-19-36-17-15-34-13-11-32-9-7-30-5-3-23(27)26-22(21-38-2)24(28)29/h22,25H,3-21H2,1-2H3,(H,26,27)(H,28,29)/t22-/m0/s1.
What are the key properties of (2R)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylsulfanylpropanoic acid?
(2R)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylsulfanylpropanoic acid has a molecular weight of 572.72 g/mol, XLogP of -0.34, 31 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylsulfanylpropanoic acid is sourced from PubChem (CID 59197808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).