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Substance Name: 6-(2-(3-(5-Chloro-3,4-dihydroxybenzoyl)-3-(3-hydroxypropyl)-1-ureido)-2-phenylacetamido)penicillanic acid
RN: 88852-54-4
InChIKey: PVWJVIQSDCXIBM-QZISKZHOSA-N

Molecular Weight

  • 621.0641
 
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Names and Synonyms

Name of Substance

  • 6-(2-(3-(5-Chloro-3,4-dihydroxybenzoyl)-3-(3-hydroxypropyl)-1-ureido)-2-phenylacetamido)penicillanic acid

Synonym

  • 5-CDUPA

Registry Numbers

CAS Registry Number

  • 88852-54-4

System Generated Number

  • 0088852544

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(9-6-10-33)22(37)14-11-15(28)19(35)16(34)12-14/h3-5,7-8,11-12,17-18,20,24,33-35H,6,9-10H2,1-2H3,(H,29,36)(H,30,41)(H,39,40)/t17?,18-,20+,24-/m1/s1

InChIKey

PVWJVIQSDCXIBM-QZISKZHOSA-N

Smiles

CC1(C)S[C@@H]2[C@H](NC(=O)C(NC(=O)N(CCCO)C(=O)c3cc(O)c(O)c(Cl)c3)c4ccccc4)C(=O)N2[C@H]1C(=O)O