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 2-(diethylamino)ethyl 4-aminobenzoate (1:1),mixt. contg.
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![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 2-(diethylamino)ethyl 4-aminobenzoate (1:1),mixt. contg. structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/03b679c5c34142b4865084d7663ebdaf.png "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 2-(diethylamino)ethyl 4-aminobenzoate (1:1),mixt. contg.")
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 2-(diethylamino)ethyl 4-aminobenzoate (1:1),mixt. contg.
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CAS No:
8017-41-2
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Formula:
C21H41N7O12.C16H18N2O4S.C13H20N2O2
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Chemical Name:
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 2-(diethylamino)ethyl 4-aminobenzoate (1:1),mixt. contg.
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Synonyms:
D-Streptamine,O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-(hydroxymethyl)-α-L-lyxofuranosyl-(1→4)-N1,N3-bis(aminoiminomethyl)-,mixt. with 2-(diethylamino)ethyl 4-aminobenzoate mono[(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate];D-Streptamine,O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-(hydroxymethyl)-α-L-lyxofuranosyl-(1→4)-N,N′-bis(aminoiminomethyl)-,mixt. with 2-(diethylamino)ethyl 4-aminobenzoate mono[[2S-(2α,5α,6β)]-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate];D-Streptamine,O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-5-deoxy-3-C-(hydroxymethyl)-α-L-lyxofuranosyl-(1→4)-N,N′-bis(aminoiminomethyl)-,mixt. with 2-(diethylamino)ethyl 4-aminobenzoate mono[(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate];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 2-(diethylamino)ethyl 4-aminobenzoate (1:1),mixt. contg.;Benzoic acid,4-amino-,2-(diethylamino)ethyl ester,mono[[2S-(2α,5α,6β)]-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate],mixt. contg.;8031-31-0;67148-10-1
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CAS No:
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 2-(diethylamino)ethyl 4-aminobenzoate (1:1),mixt. contg. Basic Attributes
1154.3 g/mol
1153.53252589 g/mol
Computed Properties
Molecular Weight:1154.3
Hydrogen Bond Donor Count:16
Hydrogen Bond Acceptor Count:24
Rotatable Bond Count:20
Exact Mass:1153.53252589
Monoisotopic Mass:1153.53252589
Topological Polar Surface Area:507
Heavy Atom Count:80
Complexity:1660
Defined Atom Stereocenter Count:18
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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