Chemical ID: 5691707

CC1(C(N2C(S1)C(C2=O)NC(=O)C(c3ccc(cc3)O)[NH3+])C(=O)[O-])C
Chemical ID:
5691707
Name [?]:
6-[2-azaniumyl-2-(4-hydroxyphenyl)-acetyl]amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SMILES [?]:
CC1(C(N2C(S1)C(C2=O)NC(=O)C(c3ccc(cc3)O)[NH3+])C(=O)[O-])C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H19N3O5S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:4
ZAP Information [?]
Total:-53.502
Area:542.238
Solvation:-67.0579
Coulombic:-22.3477
Bond Count [?]
All:27
Single:21
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:365.405
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:-0.45
LogP (Chemaxon):-3.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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