Amoxicillin dimer

C32H38N6O10S2CAS 73590-06-4730.81 g/mol

Open in Covalent MOL file
SHNONHOHNONH2HONHOOHSHOONOOH
AmideCarboxylic acidLactamPhenolPrimary amineSecondary amineSulfide

Properties

Molecular formula
C32H38N6O10S2
Molar mass
730.81 g/mol
Exact mass
730.2091 Da
logP
2.49Crippen estimate
Polar surface area
271.2 Ų
H-bond donors / acceptors
9 / 12
Rotatable bonds
11
Stereocentres
R, R, R, R, R, R, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
73590-06-4
SMILES
CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N=C(O)[C@@H](N=C(O)[C@H](N)c3ccc(O)cc3)[C@@H]3N[C@@H](C(=O)O)C(C)(C)S3)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O
InChIKey
GERXQFMVSQUXHT-BOUYBQKTSA-N
InChI
InChI=1S/C32H38N6O10S2/c1-31(2)21(29(45)46)37-26(49-31)19(35-23(41)17(33)13-5-9-15(39)10-6-13)25(43)34-18(14-7-11-16(40)12-8-14)24(42)36-20-27(44)38-22(30(47)48)32(3,4)50-28(20)38/h5-12,17-22,26,28,37,39-40H,33H2,1-4H3,(H,34,43)(H,35,41)(H,36,42)(H,45,46)(H,47,48)/t17-,18-,19-,20-,21+,22+,26-,28-/m1/s1

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Names and synonyms

3 names
  • Glycinamide, (2R)-2-(4-hydroxyphenyl)glycyl-(2S)-2-((2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl)glycyl-N-((2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-(4-hydroxyphenyl)-, (2R)-
  • Glycinamide, (2R)-2-(4-hydroxyphenyl)glycyl-(2S)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]glycyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-(4-hydroxyphenyl)-, (2R)-
  • Glycinamide, D-2-(4-hydroxyphenyl)glycyl-L-2-(4-carboxy-5,5-dimethyl-2-thiazolidinyl)glycyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)-D-2-(4-hydroxyphenyl)-, [2(2R-trans),3[2S-(2α,5α,6β)]]-

Work with Amoxicillin dimer

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

(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)glycinamide188112-75-684 % similar Amoxicillin26787-78-076 % similar Amoxicillin trihydrate61336-70-773 % similar Amoxicillin piperazine-2,5-dione94659-47-969 % similar Ampicillin69-53-465 % similar Aspoxicillin63358-49-663 % similar Ampicillin trihydrate7177-48-263 % similar Carbenicillin4697-36-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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