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Substance Name: Ramoplanin A'2
RN: 124884-29-3
UNII: Z65ENX52YD
InChIKey: FLZBDKOAIZUTMK-BLOXYQGZSA-N

Molecular Weight

  • 2391.9456
 
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Names and Synonyms

Name of Substance

  • Ramoplanin A'2

Synonyms

  • (S)-2-(3-Chloro-4-hydroxyphenyl)-N-(N2-((2Z,4Z)-7-methyl-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-(alpha-D-mannopyranosyloxy)phenyl)glycyl-(2R,3R)-allothreonyl-(S)-2-(p-hydroxyphenyl)glycylglycyl-(S)-leucyl-(R)-alanyl)glycine psi1-lactone
  • Ramoplanin A'2
  • Ramoplanin A2
  • UNII-Z65ENX52YD

Systematic Name

  • Ramoplanin A 1 (peptide moiety), 1-(N2-(7-methyl-1-oxo-2,4-octadienyl)-L-asparagine)-11-(L-2-(4-(alpha-D-mannopyranosyloxy)phenyl)glycine)-, (Z,Z)-

Registry Numbers

CAS Registry Number

  • 124884-29-3

FDA UNII

  • Z65ENX52YD

System Generated Number

  • 0124884293

Structure Descriptors

InChI

1S/C113H144ClN21O35/c1-53(2)17-11-9-14-22-80(146)121-76(50-79(117)145)102(157)135-91-95(96(118)151)170-112(167)90(65-33-44-77(144)71(114)49-65)134-97(152)55(5)120-100(155)74(47-54(3)4)122-81(147)51-119-103(158)85(60-23-34-66(140)35-24-60)130-106(161)84(58(8)139)128-108(163)87(64-31-42-70(43-32-64)168-113-94(150)93(149)92(148)78(52-136)169-113)129-99(154)72(20-15-45-115)123-101(156)75(48-59-18-12-10-13-19-59)125-104(159)82(56(6)137)127-109(164)88(62-27-38-68(142)39-28-62)132-110(165)89(63-29-40-69(143)41-30-63)131-105(160)83(57(7)138)126-98(153)73(21-16-46-116)124-107(162)86(133-111(91)166)61-25-36-67(141)37-26-61/h9-14,18-19,22-44,49,53-58,72-76,78,82-95,113,136-144,148-150H,15-17,20-21,45-48,50-52,115-116H2,1-8H3,(H2,117,145)(H2,118,151)(H,119,158)(H,120,155)(H,121,146)(H,122,147)(H,123,156)(H,124,162)(H,125,159)(H,126,153)(H,127,164)(H,128,163)(H,129,154)(H,130,161)(H,131,160)(H,132,165)(H,133,166)(H,134,152)(H,135,157)/b11-9+,22-14-/t55-,56+,57-,58-,72-,73-,74+,75+,76+,78-,82+,83-,84-,85+,86-,87+,88-,89+,90+,91+,92-,93+,94+,95+,113+/m1/s1

InChIKey

FLZBDKOAIZUTMK-BLOXYQGZSA-N

Smiles

C[C@@H]1C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)CC(C)C)c2ccc(cc2)O)[C@@H](C)O)c3ccc(cc3)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CCCN)Cc5ccccc5)[C@H](C)O)c6ccc(cc6)O)c7ccc(cc7)O)[C@@H](C)O)CCCN)c8ccc(cc8)O)NC(=O)[C@H](CC(=O)N)NC(=O)/C=C\C=C\CC(C)C)C(=O)N)c9ccc(c(c9)Cl)O