Chemical ID: 3965439

CC1(C(N2C(S1)C(C2=O)NC(=O)C(c3ccccc3)N)C(=O)[O-])C
Chemical ID:
3965439
Name [?]:
6-(2-amino-2-phenyl-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(c3ccccc3)N)C(=O)[O-])C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H18N3O4S-
All Atoms:24
Heavy Atoms:24
Chiral Atoms:4
ZAP Information [?]
Total:-34.1774
Area:525.256
Solvation:-47.3088
Coulombic:-46.3269
Bond Count [?]
All:26
Single:20
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:348.398
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:-0.05
LogP (Chemaxon):-3.6

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue