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Substance Name: Ulithiacyclamide F
RN: 218916-93-9
InChIKey: PWPRWPDNHHLZPB-NYVLYJCUSA-N

Molecular Formula

  • C35-H42-N8-O7-S4

Molecular Weight

  • 815.0298
 
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Names and Synonyms

Results Name

  • Ulithiacyclamide F

Synonym

  • Ulithiacyclamide F

Systematic Name

  • Cyclo((4S,5R)-2-((1R)-1-amino-2-mercaptoethyl)-4,5-dihydro-5-methyl-4-oxazolecarbonyl-2-((1R)-1-amino-2-phenylethyl)-4-thiazolecarbonyl-L-cysteinyl-L-threonyl-2-((1R)-1-amino-3-methylbutyl)-4-thiazolecarbonyl), cyclic (1-3)-disulfide

Registry Numbers

CAS Registry Number

  • 218916-93-9

System Generated Number

  • 0218916939

Structure Descriptors

InChI

1S/C35H42N8O7S4/c1-16(2)10-20-34-40-23(13-51-34)29(46)39-25-15-54-53-14-24(30(47)42-26(17(3)44)31(48)36-20)38-28(45)22-12-52-35(41-22)21(11-19-8-6-5-7-9-19)37-32(49)27-18(4)50-33(25)43-27/h5-9,12-13,16-18,20-21,24-27,44H,10-11,14-15H2,1-4H3,(H,36,48)(H,37,49)(H,38,45)(H,39,46)(H,42,47)/t17-,18+,20+,21+,24+,25+,26-,27-/m0/s1

InChIKey

PWPRWPDNHHLZPB-NYVLYJCUSA-N

Smiles

CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CSSC[C@@H](NC(=O)c3csc1n3)C4=N[C@@H]([C@@H](C)O4)C(=O)N[C@H](Cc5ccccc5)c6nc(cs6)C(=O)N2)[C@H](C)O