Penicillin Et(NH)2 Sym dimer
Basic information
- CAS
142780-80-1- Standard SMILES
COC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@@H]([C@H](NC(=O)Cc3ccccc3)C(=O)OC)SC2(C)C)C(C)(C)S1- InChIKey
CMJNUODSZAGDEG-WBASAELKSA-N- Molecular formula
- C36H48N6O8S2
- Average molar mass
- 756.9 g/mol
- Monoisotopic mass
- 756.29750486
Names & identifiers
- Preferred name
- Penicillin Et(NH)2 Sym dimer
- IUPAC
- methyl (2R)-2-[(2R,4S)-4-[2-[[(2R,4S)-2-[(1R)-2-methoxy-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]ethylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-[(2-phenylacetyl)amino]acetate
Names & synonyms
Penicillin Et(NH)2 Sym dimer142780-80-1DTXSID20162179(2R-(2alpha(R),4beta))-4,4'-(1,2-Ethanediylbis(aminocarbonyl))bis(5,5-dimethyl-alpha((phenylacetyl)amino)-2-thiazolidineacetic acid, methyl ester)2-Thiazolidineacetic acid, 4,4'-(1,2-ethanediylbis(iminocarbonyl))bis(5,5-dimethyl-alpha-((phenylacetyl)amino)-, dimethyl ester, (2R-(2alpha(R*),4beta(2'R*(R*),4'S*)))-RefChem:170906DTXCID2084670(2R-(2alpha(R),4beta))-4,4'-(1,2-Ethanediylbis(aminocarbonyl))bis(N-benzyl-5,5-dimethyl-alpha((phenylacetyl)amino)-2-thiazolidineacetamide)142762-74-1penicillin deriv. 1CHEMBL104525[2R-[2.alpha.(R*),4.beta.]]-4,4'-[1,2-Ethanediylbis[aminocarbonyl]]bis[5,5-dimethyl-.alpha.[(phenylacetyl)amino]-2-thiazolidineacetic acid, methyl ester]
Show more names
2-Thiazolidineacetic acid, 4,4'-[1,2-ethanediylbis(iminocarbonyl)]bis[5,5-dimethyl-.alpha.-[(phenylacetyl)amino]-, dimethyl ester, [2R-[2.alpha.(R*),4.beta.[2'R*(R*),4'S*]]]-Dimethyl (2R,2'R)-2,2'-(ethane-1,2-diylbis{carbamoyl[(2R,4S)-5,5-dimethyl-1,3-thiazolidine-4,2-diyl]})bis[(2-phenylacetamido)acetate]methyl (2R)-2-[(2R,4S)-4-[2-[[(2R,4S)-2-[(1R)-2-methoxy-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-thiazolidine-4-carbonyl]amino]ethylcarbamoyl]-5,5-dimethyl-thiazolidin-2-yl]-2-[(2-phenylacetyl)amino]acetate
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 244 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 17
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,190
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