chempirical

Bacampicillin

C21H27N3O7SCAS 50972-17-3465.52 g/mol

Open in Covalent MOL file
OOOOONONHONH2S
AcetalAmideCarbonateEsterLactamPrimary amineSulfide

Properties

Molecular formula
C21H27N3O7S
Molar mass
465.52 g/mol
Exact mass
465.1570 Da
logP
2.14Crippen estimate
Polar surface area
140.8 Ų
H-bond donors / acceptors
2 / 9
Rotatable bonds
7
Stereocentres
S, R, R, Rin SMILES atom order

Identifiers

CAS number
50972-17-3
SMILES
CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](N=C(O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C
InChIKey
PFOLLRNADZZWEX-FFGRCDKISA-N
InChI
InChI=1S/C21H27N3O7S/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25)/t11?,13-,14-,15+,18-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, 1-[(ethoxycarbonyl)oxy]ethyl ester, (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, 1-[(ethoxycarbonyl)oxy]ethyl ester, [2S-[2α,5α,6β(S*)]]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-aminophenylacetyl]amino]-3,3-dimethyl-7-oxo-, 1-[(ethoxycarbonyl)oxy]ethyl ester, (2S,5R,6R)-
  • Carampicillin

Work with Bacampicillin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ampicillin69-53-463 % similar Ampicillin trihydrate7177-48-261 % similar Lenampicillin86273-18-960 % similar Sultamicillin76497-13-760 % similar Amoxicillin26787-78-054 % similar Sultamicillin tosylate83105-70-852 % similar Amoxicillin trihydrate61336-70-752 % similar (2R)-2-(4-Hydroxyphenyl)glycyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-(2R)-2-(4-hydroxyphenyl)glycinamide188112-75-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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