Chemical ID: 3968822

CC1(C(N2C(S1)C(C2=O)NC(=O)C(c3ccsc3)C(=O)O)C(=O)O)C
Chemical ID:
3968822
Name [?]:
6-[2-carboxy-2-(3-thienyl)acetyl]amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILES [?]:
CC1(C(N2C(S1)C(C2=O)NC(=O)C(c3ccsc3)C(=O)O)C(=O)O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H16N2O6S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:4
ZAP Information [?]
Total:6.97486
Area:539.09
Solvation:-6.5024
Coulombic:-89.0815
Bond Count [?]
All:27
Single:21
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:384.429
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:1.2
LogP (Chemaxon):0.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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