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Technology Process of (2S,5R,6R)-6-[[(2R)-2-[[(2-chloro-3,4-dihydroxybenzoyl)-(3-hydroxypropyl)carbamoyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

(2S,5R,6R)-6-[[(2R)-2-[[(2-chloro-3,4-dihydroxybenzoyl)-(3-hydroxypropyl)carbamoyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Base Information
  • Chemical Name:(2S,5R,6R)-6-[[(2R)-2-[[(2-chloro-3,4-dihydroxybenzoyl)-(3-hydroxypropyl)carbamoyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • CAS No.:92773-65-4
  • Molecular Formula:C27H29 Cl N4 O9 S
  • Molecular Weight:0
  • Hs Code.:
  • DSSTox Substance ID:DTXSID70918966
  • Wikidata:Q82891332
  • Mol file:92773-65-4.mol
(2S,5R,6R)-6-[[(2R)-2-[[(2-chloro-3,4-dihydroxybenzoyl)-(3-hydroxypropyl)carbamoyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Synonyms:2-CDUPA;6-(2-(3-(2-chloro-3,4-dihydroxybenzoyl)-3-(3-hydroxypropyl)-1-ureido)-2-phenylacetamido)penicillanic acid

Suppliers and Price of (2S,5R,6R)-6-[[(2R)-2-[[(2-chloro-3,4-dihydroxybenzoyl)-(3-hydroxypropyl)carbamoyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Chemical Property of (2S,5R,6R)-6-[[(2R)-2-[[(2-chloro-3,4-dihydroxybenzoyl)-(3-hydroxypropyl)carbamoyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Chemical Property:
  • Boiling Point:°Cat760mmHg 
  • Flash Point:°C 
  • Density:1.61g/cm3 
  • XLogP3:2.5
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:10
  • Rotatable Bond Count:9
  • Exact Mass:620.1343774
  • Heavy Atom Count:42
  • Complexity:1070
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MSDS Files:
Useful:
  • Canonical SMILES:CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N(CCCO)C(=O)C4=C(C(=C(C=C4)O)O)Cl)C(=O)O)C
  • Isomeric SMILES:CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)N(CCCO)C(=O)C4=C(C(=C(C=C4)O)O)Cl)C(=O)O)C
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