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6-((1-Hydroxy-2-phenylethylidene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid--2-(methylamino)-1,2-diphenylethan-1-ol (1/1)

HCID 197867
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Basic information

CAS
7177-43-7
Standard SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CNC(c1ccccc1)C(O)c1ccccc1
InChIKey
XQBNHSTXTGKXIL-LQDWTQKMSA-N
Molecular formula
C31H35N3O5S
Average molar mass
561.7 g/mol
Monoisotopic mass
561.2297424

Names & identifiers

Preferred name
6-((1-Hydroxy-2-phenylethylidene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid--2-(methylamino)-1,2-diphenylethan-1-ol (1/1)
IUPAC
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2-(methylamino)-1,2-diphenylethanol
English name
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2alpha,5alpha,6beta)]-, compd. with [R-(R*,S*)]-beta-(methylamino)-alpha-phenylbenzeneethanol (1:1)
Molecular formula
C16H18N2O4S.C15H17NO
Molecular weight
561.7

Names & synonyms

DTXSID509924266-((1-Hydroxy-2-phenylethylidene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid--2-(methylamino)-1,2-diphenylethan-1-ol (1/1)6-[(1-Hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid--2-(methylamino)-1,2-diphenylethan-1-ol (1/1)RefChem:1073642DTXCID001419494l-Ephenamine penicillin GEphenamine penicilline7177-43-7Compenamine(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2-(methylamino)-1,2-diphenylethanol(-)-Ephenamine penicillin GEINECS 230-537-8
Show more names
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2alpha,5alpha,6beta)]-, compd. with [R-(R*,S*)]
2-(methylamino)-1,2-diphenylethan-1-ol (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate(2S,5R,6R)-6-[(1-Hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid--2-(methylamino)-1,2-diphenylethan-1-ol (1/1)

Database identifiers

CAS
7177-43-7
PubChem CID
197867
DTXSID
DTXSID50992426
EC Number
230-537-8

Properties

Computed structural properties

Topological polar surface area
144 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
40
Formal charge
0
Complexity
737

Chemistry & industry

Suppliers2 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]

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