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Substance Name: Rotamicillin [INN]
RN: 55530-41-1
UNII: JS13873052
InChIKey: PXNNCSKFUDOUJS-ZUVQJFRASA-N

Molecular Formula

  • C28-H31-N5-O5-S

Molecular Weight

  • 549.6489
 
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Names and Synonyms

Name of Substance

  • Rotamicillin [INN]

Synonyms

  • (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-((R)-2-phenyl-2-(2-(p-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)acetamido)acetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • Rotamicillin
  • Rotamicillina
  • Rotamicilline
  • Rotamicillinum
  • UNII-JS13873052

Systematic Name

  • (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-((R)-2-phenyl-2-(2-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)acetamido(acetamido-4-thia-1-azabicyclo(3.2.0)heptan-2-carboxylic acid

Registry Numbers

CAS Registry Number

  • 55530-41-1

FDA UNII

  • JS13873052

System Generated Number

  • 0055530411

Structure Descriptors

InChI

1S/C28H31N5O5S/c1-28(2)22(27(37)38)33-25(36)21(26(33)39-28)32-24(35)20(17-7-4-3-5-8-17)31-19(34)15-16-9-11-18(12-10-16)23-29-13-6-14-30-23/h3-5,7-12,20-22,26H,6,13-15H2,1-2H3,(H,29,30)(H,31,34)(H,32,35)(H,37,38)/t20-,21-,22+,26-/m1/s1

InChIKey

PXNNCSKFUDOUJS-ZUVQJFRASA-N

Smiles

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)NC(=O)Cc4ccc(cc4)C5=NCCCN5)C(=O)O)C