ChemDB: Chemical Search
Download
Chemical ID: 7228396
Chemical ID:
7228396
Name [?]:
6-(2-azaniumyl-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)[NH3+])C(=O)[O-])C
InChi [?]:
InChI=1/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,17,16,18,15,19,14,13,7,3,11,8,5,21,2,20,10,4,12,9,22,23,6/E:(1,2)(4,5)(6,7)(22,23)/rA:24cCCCNCSCCONCOCCCCCCCN+COO-C/rB:s1;s2;s3;s4;s2s5;s5;s4s7;d8;s7;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s13;s3;d21;s21;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19N3O4S |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -52.3076 |
Area: | 522.472 |
Solvation: | -65.3694 |
Coulombic: | -11.4145 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -0.05 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|