Ramoplanin A2
AlkaPlorer ID: AK039660
Synonym: 'Ramoplanin A2'
IUPAC Name: (2S)-N-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-pentadecahydroxy-49-(C-hydroxycarbonimidoyl)-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetraconta-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaen-48-yl]-2-[[(2Z,4E)-1-hydroxy-7-methylocta-2,4-dienylidene]amino]butanediimidic acid
Structure
SMILES: CC(C)C/C=C/C=C\C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H]1C(O)=N[C@H](C2=CC=C(O)C=C2)C(O)=N[C@H](CCCN)C(O)=N[C@H]([C@@H](C)O)C(O)=N[C@@H](C2=CC=C(O)C=C2)C(O)=N[C@H](C2=CC=C(O)C=C2)C(O)=N[C@@H]([C@H](C)O)C(O)=N[C@@H](CC2=CC=CC=C2)C(O)=N[C@H](CCCN)C(O)=N[C@@H](C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)C=C2)C(O)=N[C@H]([C@@H](C)O)C(O)=N[C@@H](C2=CC=C(O)C=C2)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=N[C@H](C)C(O)=N[C@@H](C2=CC=C(O)C(Cl)=C2)C(=O)O[C@@H]1C(=N)O
InChI: InChI=1S/C119H154ClN21O40/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)/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: KGZHFKDNSAEOJX-WIFQYKSHSA-N
Reference
Ramoplanin (A-16686), a new glycolipodepsipeptide antibiotic. III. Structure elucidation.
PubChem CID: 16129628
CAS: 81988-88-7
LOTUS: LTS0163086
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces fungicidicus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 2554.1009999999965
TPSA？: 1060.9000000000008
MolLogP？: 9.038440000000016
Number of H-Donors: 38
Number of H-Acceptors: 42
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|