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Substance Name: Ramoplanin a1
RN: 81988-87-6
UNII: V9PG4O8DRD
InChIKey: QMJRFQRMRCJRIV-NIIZMFKTSA-N

Molecular Weight

  • 2540.0588
 
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Names and Synonyms

Name of Substance

  • Ramoplanin A(sub 1)
  • Ramoplanin A1

Synonyms

  • (S)-2-(3-Chloro-4-hydroxyphenyl)-N-(N(sup 2)-((2Z,4Z)-2,4-octadienoyl)-(S)-asparaginyl-(2S,3S)-3-hydroxyasparaginyl-(R)-2-(p-hydroxyphenyl)glycyl-(R)-ornithyl-(2R,3R)-allothreonyl-2-(p-hydroxyphenyl)glycyl-2-(p-hydroxyphenyl)glycyl-(2S,3S)-allothreonyl-(S)-phenylalanyl-(R)-ornithyl-(S)-2-(p-((2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranosyl)oxy)phenyl)glycyl-(2R,3R)-allothreonyl-(S)-2-(p-hydroxyphenyl)glycylglycyl-(S)-leucyl-(R)-alanyl)glycine psi1-lactone
  • Ramoplanin A 1 (peptide moiety), 11-(L-2-(4-((2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranosyl)oxy)phenyl)glycine)-
  • Ramoplanin A(sub 1)
  • Ramoplanin A1
  • UNII-V9PG4O8DRD

Registry Numbers

CAS Registry Number

  • 81988-87-6

FDA UNII

  • V9PG4O8DRD

System Generated Number

  • 0081988876

Structure Descriptors

InChI

1S/C118H152ClN21O40/c1-8-9-10-11-15-22-81(152)126-76(50-80(122)151)106(165)140-92-98(100(123)159)179-116(175)91(65-33-44-77(150)71(119)49-65)139-101(160)55(4)125-104(163)74(47-54(2)3)127-82(153)51-124-107(166)86(60-23-34-66(146)35-24-60)135-110(169)85(58(7)145)133-112(171)88(64-31-42-70(43-32-64)176-118-99(96(157)94(155)79(53-142)178-118)180-117-97(158)95(156)93(154)78(52-141)177-117)134-103(162)72(20-16-45-120)128-105(164)75(48-59-18-13-12-14-19-59)130-108(167)83(56(5)143)132-113(172)89(62-27-38-68(148)39-28-62)137-114(173)90(63-29-40-69(149)41-30-63)136-109(168)84(57(6)144)131-102(161)73(21-17-46-121)129-111(170)87(138-115(92)174)61-25-36-67(147)37-26-61/h10-15,18-19,22-44,49,54-58,72-76,78-79,83-99,117-118,141-150,154-158H,8-9,16-17,20-21,45-48,50-53,120-121H2,1-7H3,(H2,122,151)(H2,123,159)(H,124,166)(H,125,163)(H,126,152)(H,127,153)(H,128,164)(H,129,170)(H,130,167)(H,131,161)(H,132,172)(H,133,171)(H,134,162)(H,135,169)(H,136,168)(H,137,173)(H,138,174)(H,139,160)(H,140,165)/b11-10+,22-15-/t55-,56+,57-,58-,72-,73-,74+,75+,76+,78-,79-,83+,84-,85-,86+,87-,88+,89-,90+,91+,92+,93-,94-,95+,96+,97+,98+,99+,117-,118+/m1/s1

InChIKey

QMJRFQRMRCJRIV-NIIZMFKTSA-N

Smiles

CCC\C=C\C=C/C(=O)N[C@@H](CC(=O)N)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CCCN)NC(=O)[C@H](NC1=O)c3ccc(O)cc3)[C@@H](C)O)c4ccc(O)cc4)c5ccc(O)cc5)[C@H](C)O)c6ccc(O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]7O[C@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]8O)cc6)[C@@H](C)O)c9ccc(O)cc9)c%10ccc(O)c(Cl)c%10)C(=O)N