(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;zinc

C14H30N4O8S4Zn — CID 173395299

About (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;zinc

(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;zinc (PubChem CID 173395299) has the molecular formula C14H30N4O8S4Zn and a molecular weight of 576.07 g/mol. Its IUPAC name is (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;zinc.

Molecular Properties

• Compound Name: (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;zinc
• PubChem CID: 173395299
• Molecular Formula: C14H30N4O8S4Zn
• Molecular Weight: 576.07 g/mol
• Exact Mass: 574.02
• IUPAC Name: (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;zinc
• SMILES: CSCC[C@H](N)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O.[Zn]
• InChI: InChI=1S/C6H12N2O4S2.C5H11NO2S.C3H7NO2S.Zn/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;1-9-3-2-4(6)5(7)8;4-2(1-7)3(5)6;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);4H,2-3,6H2,1H3,(H,7,8);2,7H,1,4H2,(H,5,6);/t3-,4-;4-;2-;/m000./s1
• InChIKey: CYJUKQIDNGYHHB-LMNXGGQLSA-N
• XLogP: -1.33
• TPSA: 253.28 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	576.07
LogP ≤ 5	-1.33
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;zinc?

The IUPAC name of (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;zinc (CID 173395299) is (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;zinc.

What is the SMILES notation for (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;zinc?

The canonical SMILES for (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;zinc is CSCC[C@H](N)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O.[Zn].

What is the InChIKey of (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;zinc?

The InChIKey is CYJUKQIDNGYHHB-LMNXGGQLSA-N. The full InChI is InChI=1S/C6H12N2O4S2.C5H11NO2S.C3H7NO2S.Zn/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;1-9-3-2-4(6)5(7)8;4-2(1-7)3(5)6;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);4H,2-3,6H2,1H3,(H,7,8);2,7H,1,4H2,(H,5,6);/t3-,4-;4-;2-;/m000./s1.

What are the key properties of (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;zinc?

(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;zinc has a molecular weight of 576.07 g/mol, XLogP of -1.33, 13 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;zinc is sourced from PubChem (CID 173395299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).