4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-,compd. with N,N′-bis(dehydroabietyl)ethylenediamine (2:1)
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![4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-,compd. with N,N′-bis(dehydroabietyl)ethylenediamine (2:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/96af41696786443fa6ceabafaad8399f.png "4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-,compd. with N,N′-bis(dehydroabietyl)ethylenediamine (2:1)")
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-,compd. with N,N′-bis(dehydroabietyl)ethylenediamine (2:1)
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CAS No:
3344-16-9
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Formula:
C42H64N2.2C16H18N2O4S
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Chemical Name:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-,compd. with N,N′-bis(dehydroabietyl)ethylenediamine (2:1)
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Synonyms:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-,compd. with N1,N2-bis[[(1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl]-1,2-ethanediamine (2:1);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-,compd. with N,N′-bis(dehydroabietyl)ethylenediamine (2:1);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2α,5α,6β)]-,compd. with [1R-[1α(1R*,4aS*,10aR*),4aβ,10aα]]-N,N′-bis[[1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl]-1,2-ethanediamine (2:1);Penicillin G,compd. with N,N′-bis[(1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethyl-1-phenanthryl)methyl]ethylenediamine (2:1);Penicillin G,compd. with N,N′-bis(dehydroabietyl)ethylenediamine (2:1);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-,compd. with N,N′-bis[[(1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl]-1,2-ethanediamine (2:1);Ethylenediamine,N,N′-bis(dehydroabietyl)-,compd. with penicillin G (1:2);1,2-Ethanediamine,N,N′-bis[[1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl]-,[1R-[1α(1R*,4aS*,10aR*),4aβ,10aα]]-,bis[[2S-(2α,5α,6β)]-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate];1,2-Ethanediamine,N,N′-bis[[(1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl]-,bis[(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate];N,N′-Bis(dehydroabietyl)ethylenediamine dipenicillin G;Compocillin;Hydrabamine penicillin G;Penicillin G hydrabamine
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CAS No:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-,compd. with N,N′-bis(dehydroabietyl)ethylenediamine (2:1) Basic Attributes
1265.8 g/mol
1264.70440652 g/mol
222-092-3
667Y1107D3
DTXSID20187084
Computed Properties
Molecular Weight:1265.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:17
Exact Mass:1264.70440652
Monoisotopic Mass:1264.70440652
Topological Polar Surface Area:248
Heavy Atom Count:90
Complexity:1410
Defined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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