Ramoplanin A2

ラモプラニンA₂

Decided structure
Molecular formula： C₁₁₉H₁₅₄ClN₂₁O₄₀
Molecular formula furigana： C119-H154-CL-N21-O40
Molecular weight： 2554.100

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

InChI key： KGZHFKDNSAEOJX-WBIXNEBZSA-N

SMILES： CC(C)C/C=C\C=C/C(=O)N[C@@H](CC(=O)N)C(=O)NC1[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(NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC(=O)C(Cc2ccccc2)NC(=O)[C@@H](NC(=O)C(NC(=O)[C@H](NC(=O)C(NC(=O)[C@@H](CCCN)NC(=O)C(NC1=O)c1ccc(O)cc1)[C@@H](C)O)c1ccc(O)cc1)c1ccc(O)cc1)[C@H](C)O)c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1)[C@@H](C)O)c1ccc(O)cc1)c1ccc(O)c(Cl)c1)C(=O)N

Systematic name (3)：

4-アミノ-4-オキソ-N-[N²-[(2Z,4Z)-7-メチル-1-オキソ-2,4-オクタジエニル]-L-Asn-]シクロ[L-Thr*-4-ヒドロキシ-D-フェニルGly-D-Orn-D-aThr-4-ヒドロキシ-D-フェニルGly-4-ヒドロキシ-D-フェニルGly-L-aThr-L-Phe-D-Orn-4-[(2-O-α-D-マンノピラノシル-α-D-マンノピラノシル)オキシ]-L-フェニルGly-D-aThr-4-ヒドロキシ-L-フェニルGly-Gly-L-Leu-D-Ala-3-クロロ-4-ヒドロキシ-L-フェニルGly-]
(2S)-N-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36R,39R,42R,45R,48S,49S)-24,42-ビス(3-アミノプロピル)-27-ベンジル-49-カルバモイル-3-(3-クロロ-4-ヒドロキシフェニル)-21-(4-{[(2R,3S,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(2R,3S,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}フェニル)-18,39-ビス[(1R)-1-ヒドロキシエチル]-30-[(1S)-1-ヒドロキシエチル]-15,33,36,45-テトラキス(4-ヒドロキシフェニル)-6-メチル-9-(2-メチルプロピル)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-ヘキサデカオキソ-1-オキサ-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-ペンタデカアザシクロノナテトラコンタン-48-イル]-2-[(2Z,4Z)-7-メチルオクタ-2,4-ジエンアミド]ブタンジアミド
(2S)-N-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36R,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-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]oxy}oxan-2-yl]oxy}phenyl)-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaazacyclononatetracontan-48-yl]-2-[(2Z,4Z)-7-methylocta-2,4-dienamido]butanediamide

Other name (5)：

ラモプラニンA₂
Ramoplanin A₂
4-Amino-4-oxo-N-[N²-[(2Z,4Z)-7-methyl-1-oxo-2,4-octadienyl]-L-Asn-]cyclo[L-Thr*-4-hydroxy-D-phenyl Gly-D-Orn-D-aThr-4-hydroxy-D-phenyl Gly-4-hydroxy-D-phenyl Gly-L-aThr-L-Phe-D-Orn-4-[(2-O-α-D-mannopyranosyl-α-D-mannopyranosyl)oxy]-L-phenyl Gly-D-aThr-4-hydroxy-L-phenyl Gly-Gly-L-Leu-D-Ala-3-chloro-4-hydroxy-L-phenyl Gly-]
ラモプラニンA2
Ramoplanin A2

CAS registry number： 81988-88-7

KEGG COMPOUND： C12008

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