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Substance Name: Ramoplanin A2 dihydrochloride
RN: 124032-24-2
UNII: 56BJT19V25
InChIKey: MTAKEIJYZCQQGL-FUYHHWCWSA-N

Molecular Formula

  • C119-H154-Cl-N21-O40.2Cl-H

Molecular Weight

  • 2627.0074
 
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Names and Synonyms

Name of Substance

  • Ramoplanin A2 dihydrochloride

Synonyms

  • Ramoplanin A 1, 1-(N2-((2Z,4E)-7-methyl-1-oxo-2,4-octadienyl)-L-asparagine)-, dihydrochloride
  • Ramoplanin A 1, 1-(N2-(7-methyl-1-oxo-2,4-octadienyl)-L-asparagine)-, dihydrochloride, (Z,E)-
  • Ramoplanin A2 dihydrochloride
  • UNII-56BJT19V25

Registry Numbers

CAS Registry Number

  • 124032-24-2

FDA UNII

  • 56BJT19V25

System Generated Number

  • 0124032242

Structure Descriptors

InChI

1S/C119H154ClN21O40.2ClH/c1-54(2)17-11-9-14-22-82(153)127-77(50-81(123)152)107(166)141-93-99(101(124)160)180-117(176)92(66-33-44-78(151)72(120)49-66)140-102(161)56(5)126-105(164)75(47-55(3)4)128-83(154)51-125-108(167)87(61-23-34-67(147)35-24-61)136-111(170)86(59(8)146)134-113(172)89(65-31-42-71(43-32-65)177-119-100(97(158)95(156)80(53-143)179-119)181-118-98(159)96(157)94(155)79(52-142)178-118)135-104(163)73(20-15-45-121)129-106(165)76(48-60-18-12-10-13-19-60)131-109(168)84(57(6)144)133-114(173)90(63-27-38-69(149)39-28-63)138-115(174)91(64-29-40-70(150)41-30-64)137-110(169)85(58(7)145)132-103(162)74(21-16-46-122)130-112(171)88(139-116(93)175)62-25-36-68(148)37-26-62;;/h9-14,18-19,22-44,49,54-59,73-77,79-80,84-100,118-119,142-151,155-159H,15-17,20-21,45-48,50-53,121-122H2,1-8H3,(H2,123,152)(H2,124,160)(H,125,167)(H,126,164)(H,127,153)(H,128,154)(H,129,165)(H,130,171)(H,131,168)(H,132,162)(H,133,173)(H,134,172)(H,135,163)(H,136,170)(H,137,169)(H,138,174)(H,139,175)(H,140,161)(H,141,166);2*1H/b11-9+,22-14-;;/t56-,57+,58-,59-,73-,74-,75+,76+,77+,79-,80-,84+,85-,86-,87+,88-,89+,90-,91+,92+,93+,94-,95-,96+,97+,98+,99+,100+,118-,119+;;/m1../s1

InChIKey

MTAKEIJYZCQQGL-FUYHHWCWSA-N

Smiles

Cl.Cl.CC(C)C\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