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Substance Name: Raocyclamide B
RN: 174846-66-3
InChIKey: YHWCLQASEOOYBT-UHFFFAOYSA-N

Molecular Formula

  • C27-H32-N6-O6-S

Molecular Weight

  • 568.652
 
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Names and Synonyms

Results Name

  • Raocyclamide B

Synonym

  • Raocyclamide B

Systematic Names

  • 19-Oxa-6-thia-3,10,13,16,21,22-hexaazatricyclo(162115,8)docosa-5(22),7,18(21),20-tetraene-2,9,12,15-tetrone, 14-(hydroxymethyl)-17-methyl-4-((1S)-1-methylpropyl)-11-(phenylmethyl)-, (4S,11R,14R,17S)-
  • 19-Oxa-6-thia-3,10,13,16,21,22-hexaazatricyclo(162115,8)docosa-5(22),7,18(21),20-tetraene-2,9,12,15-tetrone, 14-(hydroxymethyl)-17-methyl-4-(1-methylpropyl)-11-(phenylmethyl)-, (4S-(4R*(R*),11S*,14S*,17R*))-

Registry Numbers

CAS Registry Number

  • 174846-66-3

System Generated Number

  • 0174846663

Structure Descriptors

InChI

1S/C27H32N6O6S/c1-4-14(2)21-27-32-20(13-40-27)25(38)29-17(10-16-8-6-5-7-9-16)22(35)30-18(11-34)23(36)28-15(3)26-31-19(12-39-26)24(37)33-21/h5-9,12-15,17-18,21,34H,4,10-11H2,1-3H3,(H,28,36)(H,29,38)(H,30,35)(H,33,37)

InChIKey

YHWCLQASEOOYBT-UHFFFAOYSA-N

Smiles

o1cc2nc1[C@@H](NC([C@@H](NC([C@@H](NC(=O)c1nc(sc1)[C@@H]([C@@H](CC)C)NC2=O)Cc1ccccc1)=O)CO)=O)C