2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-methylsulfanylbutane-1-sulfonic acid

HCID 87361663
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Basic information

Standard SMILES
CSCCC(CS(=O)(=O)O)NC(=O)CNC(=O)OC(C)(C)C
InChIKey
WXGSJFKXQMQIKD-UHFFFAOYSA-N
Molecular formula
C12H24N2O6S2
Average molar mass
356.5 g/mol

Names & identifiers

Preferred name
2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-methylsulfanylbutane-1-sulfonic acid
IUPAC
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-methylsulfanylbutane-1-sulfonic acid

Names & synonyms

SCHEMBL2257904

Database identifiers

PubChem CID
87361663

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
155 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
22

Related reactions

1 records
New reaction record

Linked notes

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