chempirical

Lenampicillin

C21H23N3O7SCAS 86273-18-9461.49 g/mol

Open in Covalent MOL file
OOOOONONHONH2S
AmideEsterLactamPrimary amineSulfide

Properties

Molecular formula
C21H23N3O7S
Molar mass
461.49 g/mol
Exact mass
461.1257 Da
logP
1.67Crippen estimate
Polar surface area
148.6 Ų
H-bond donors / acceptors
2 / 9
Rotatable bonds
6
Stereocentres
S, R, R, Rin SMILES atom order

Identifiers

CAS number
86273-18-9
SMILES
Cc1oc(=O)oc1COC(=O)[C@@H]1N2C(=O)[C@@H](N=C(O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C
InChIKey
ZKUKMWMSYCIYRD-ZXFNITATSA-N
InChI
InChI=1S/C21H23N3O7S/c1-10-12(31-20(28)30-10)9-29-19(27)15-21(2,3)32-18-14(17(26)24(15)18)23-16(25)13(22)11-7-5-4-6-8-11/h4-8,13-15,18H,9,22H2,1-3H3,(H,23,25)/t13-,14-,15+,18-/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 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-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, (2S,5R,6R)-
  • 1,3-Dioxole, 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid deriv.
  • Antibiotic KBT 1585

Work with Lenampicillin

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

Ampicillin69-53-461 % similar Bacampicillin50972-17-360 % similar Ampicillin trihydrate7177-48-259 % similar Sultamicillin76497-13-759 % similar Sultamicillin tosylate83105-70-853 % similar Amoxicillin26787-78-053 % similar Amoxicillin trihydrate61336-70-751 % 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)glycinamide188112-75-649 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook