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Substance Name: 6-(2-(3-(2-Chloro-3,4-dihydroxybenzoyl)-3-(3-hydroxypropyl)-1-ureido)-2-phenylacetamido)penicillanic acid
RN: 92773-65-4
InChIKey: DCHBEKSRSJYIQF-NYCQLSGJSA-N

Molecular Weight

  • 621.064
 
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Names and Synonyms

Name of Substance

  • 6-(2-(3-(2-Chloro-3,4-dihydroxybenzoyl)-3-(3-hydroxypropyl)-1-ureido)-2-phenylacetamido)penicillanic acid

Synonym

  • 2-Cdupa

Registry Numbers

CAS Registry Number

  • 92773-65-4

System Generated Number

  • 0092773654

Structure Descriptors

InChI

1S/C27H29ClN4O9S/c1-27(2)20(25(39)40)32-23(38)18(24(32)42-27)29-21(36)17(13-7-4-3-5-8-13)30-26(41)31(11-6-12-33)22(37)14-9-10-15(34)19(35)16(14)28/h3-5,7-10,17-18,20,24,33-35H,6,11-12H2,1-2H3,(H,29,36)(H,30,41)(H,39,40)/t17-,18-,20+,24-/m1/s1

InChIKey

DCHBEKSRSJYIQF-NYCQLSGJSA-N

Smiles

C1([C@H]([C@@H]2N1[C@H](C(S2)(C)C)C(=O)O)NC([C@H](NC(N(C(c1ccc(O)c(O)c1Cl)=O)CCCO)=O)c1ccccc1)=O)=O