Panicillin G | SBID = 2548 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2: 89.54
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 2.71
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C16H17N2NaO4S
M / g/mol: 356.37195
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: Panicillin G
  • Preferred Abbreviation: (2R,5S,6S)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • IUPAC Name:
  • CAS:
  • CID: -1110
  • InChiKey: FCPVYOBCFFNJFS-UHFFFAOYSA-M
  • InChi: InChI=1S/C16H18N2O4S.Na/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1
  • CanoSmiles: O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@H]1SC([C@H]2C(=O)[O-])(C)C.[Na+]
  • IsoSmiles: O=C1[C@H](NC(CC2=CC=CC=C2)=O)[C@@]3([H])N1[C@H](C([O-])=O)C(C)(C)S3.[Na+]