CID 157010276

C10H16N3O6S2 — CID 157010276

IUPAC—
SMILES[NH]C(CCC(=O)NC(CSS)C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C10H16N3O6S2/c11-5(10(18)19)1-2-7(14)13-6(4-21-20)9(17)12-3-8(15)16/h5-6,11,20H,1-4H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)
InChIKeyWEUSESWYFHHZTC-UHFFFAOYSA-N
MW338.39 g/mol
LogP-1.23
Rot. Bonds10

About CID 157010276

CID 157010276 (PubChem CID 157010276) has the molecular formula C10H16N3O6S2 and a molecular weight of 338.39 g/mol.

Molecular Properties

Compound NameCID 157010276
PubChem CID157010276
Molecular FormulaC10H16N3O6S2
Molecular Weight338.39 g/mol
Exact Mass338.05
IUPAC Name—
SMILES[NH]C(CCC(=O)NC(CSS)C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C10H16N3O6S2/c11-5(10(18)19)1-2-7(14)13-6(4-21-20)9(17)12-3-8(15)16/h5-6,11,20H,1-4H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)
InChIKeyWEUSESWYFHHZTC-UHFFFAOYSA-N
XLogP-1.23
TPSA156.60 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 5-1.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 157010276 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-[[3-[[2-[(4-amino-4-carboxybutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 18755504
2-amino-5-[[3-[(2-amino-2-carboxyethyl)disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 4247235
bis[[2-[(4-amino-4-carboxybutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl]mercury
CID 16684477
bis[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl]mercury
CID 73254850
(2R)-2-amino-5-[[(2S)-3-[[(2R)-2-[[(4R)-4-amino-4-carboxybutanoyl]amino]-2-carboxyethyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 131700593
2-amino-5-[[3-[[2-[(4-amino-4-carboxybutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
CID 174735435
(2S)-2-amino-5-[[(2R)-3-[2-[2-[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanylethylsulfanyl]ethylsulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 122377214
2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid;chromium(3+);trichloride
CID 174957158
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
CID 174868868
2-amino-5-[[1-(carboxymethylamino)-3-nitrososulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 3514
2-amino-3-(2-amino-2-carboxyethyl)sulfanylpropanoic acid;(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
CID 87148305
5-[[(2R)-3-[[(2R)-2-(4-carboxybutanoylamino)-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 135274397

Frequently Asked Questions

What is the IUPAC name of CID 157010276?
The IUPAC name of CID 157010276 (CID 157010276) is not available.
What is the SMILES notation for CID 157010276?
The canonical SMILES for CID 157010276 is [NH]C(CCC(=O)NC(CSS)C(=O)NCC(=O)O)C(=O)O.
What is the InChIKey of CID 157010276?
The InChIKey is WEUSESWYFHHZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N3O6S2/c11-5(10(18)19)1-2-7(14)13-6(4-21-20)9(17)12-3-8(15)16/h5-6,11,20H,1-4H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19).
What are the key properties of CID 157010276?
CID 157010276 has a molecular weight of 338.39 g/mol, XLogP of -1.23, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157010276 is sourced from PubChem (CID 157010276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).