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Substance Name: Ulithiacyclamide G
RN: 218916-94-0
InChIKey: XTSHAALAASYFFM-YMKCSRPVSA-N

Molecular Formula

  • C35-H42-N8-O7-S4

Molecular Weight

  • 815.0298
 
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Names and Synonyms

Results Name

  • Ulithiacyclamide G

Synonym

  • Ulithiacyclamide G

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 218916-94-0

System Generated Number

  • 0218916940

Structure Descriptors

InChI

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

InChIKey

XTSHAALAASYFFM-YMKCSRPVSA-N

Smiles

CC(C)C[C@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H]3CSSC[C@H](NC(=O)c4csc1n4)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H](Cc5ccccc5)c6nc(cs6)C(=O)N3