CID 59703093

C15H26N3O6S — CID 59703093

IUPAC—
SMILESNCCCCC([CH]C(=O)C(CS)NC(=O)CCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C15H26N3O6S/c16-6-2-1-3-9(14(21)22)7-12(19)11(8-25)18-13(20)5-4-10(17)15(23)24/h7,9-11,25H,1-6,8,16-17H2,(H,18,20)(H,21,22)(H,23,24)
InChIKeyDLGRLXGFZAEAEC-UHFFFAOYSA-N
MW376.46 g/mol
LogP-0.80
Rot. Bonds14

About CID 59703093

CID 59703093 (PubChem CID 59703093) has the molecular formula C15H26N3O6S and a molecular weight of 376.46 g/mol.

Molecular Properties

Compound NameCID 59703093
PubChem CID59703093
Molecular FormulaC15H26N3O6S
Molecular Weight376.46 g/mol
Exact Mass376.15
IUPAC Name—
SMILESNCCCCC([CH]C(=O)C(CS)NC(=O)CCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C15H26N3O6S/c16-6-2-1-3-9(14(21)22)7-12(19)11(8-25)18-13(20)5-4-10(17)15(23)24/h7,9-11,25H,1-6,8,16-17H2,(H,18,20)(H,21,22)(H,23,24)
InChIKeyDLGRLXGFZAEAEC-UHFFFAOYSA-N
XLogP-0.80
TPSA172.81 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 5-0.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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2-(16-aminohexadecanoylamino)-3-sulfanylpropanoic acid
CID 89495865
2-(8-aminooctanoylamino)-3-sulfanylpropanoic acid
CID 89495820
(2S)-2-amino-5-[[(2R)-1-[[(1S)-1-carboxy-4-[[1-[(1-carboxy-2-hydroxyethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
CID 101482416
(2S)-2-amino-6-[[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-6-oxohexanoic acid
CID 6082085
2-[(4-amino-4-carboxybutanoyl)amino]butanedioic acid
CID 5122061
(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid
CID 87256813
4-amino-5-[[6-amino-1-[[1-[(1-carboxy-2-sulfanylethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
CID 22697075
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2R)-2-(octadecanoylamino)-3-sulfanylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 175795913
6-amino-2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-sulfanylpropanoyl]amino]hexanoic acid
CID 18219834
6-amino-2-(6-aminohexanoylamino)hexanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 59703093?
The IUPAC name of CID 59703093 (CID 59703093) is not available.
What is the SMILES notation for CID 59703093?
The canonical SMILES for CID 59703093 is NCCCCC([CH]C(=O)C(CS)NC(=O)CCC(N)C(=O)O)C(=O)O.
What is the InChIKey of CID 59703093?
The InChIKey is DLGRLXGFZAEAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N3O6S/c16-6-2-1-3-9(14(21)22)7-12(19)11(8-25)18-13(20)5-4-10(17)15(23)24/h7,9-11,25H,1-6,8,16-17H2,(H,18,20)(H,21,22)(H,23,24).
What are the key properties of CID 59703093?
CID 59703093 has a molecular weight of 376.46 g/mol, XLogP of -0.80, 14 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59703093 is sourced from PubChem (CID 59703093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).