Chem
J-GLOBAL ID:200907032313279714
Nikkaji number:J1.887.312E
YM-266184
13′,19′-ジデヒドロ-17′,19′-ジデオキシ-28,44-ジヒドロ-41-ヒドロキシ-44-メトキシ-17′-オキソミクロコッシンP
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C49 H49 N13 O10 S6
Molecular formula furigana:
C49-H49-N13-O10-S6
Molecular weight:
1172.370
InChI:
InChI=1S/C49H49N13O10S6/c1-9-24(37(65)50-13-20(3)63)52-38(66)28-16-75-46(57-28)32-19-76-45(59-32)26-12-11-23-35(51-26)27-14-77-47(54-27)34(22(5)72-8)61-40(68)30-18-78-48(58-30)36(49(6,7)71)62-41(69)31-17-74-44(56-31)25(10-2)53-42(70)33(21(4)64)60-39(67)29-15-73-43(23)55-29/h9-12,14-19,21-22,33-34,36,64,71H,13H2,1-8H3,(H,50,65)(H,52,66)(H,53,70)(H,60,67)(H,61,68)(H,62,69)
InChI key:
DOYFHLROJAEHDR-UHFFFAOYSA-N
SMILES:
COC(C)C1NC(=O)c2csc(n2)C(NC(=O)c2csc(n2)C(=CC)NC(=O)C(NC(=O)c2csc(n2)c2ccc(nc2c2csc1n2)c1nc(cs1)c1nc(cs1)C(=O)NC(=CC)C(=O)NCC(=O)C)C(C)O)C(C)(C)O
Systematic name (3):
13′,19′-ジデヒドロ-17′,19′-ジデオキシ-28,44-ジヒドロ-41-ヒドロキシ-44-メトキシ-17′-オキソミクロコッシンP
2-[(2-{2-[26-エチリデン-29-(1-ヒドロキシエチル)-19-(2-ヒドロキシプロパン-2-イル)-12-(1-メトキシエチル)-14,21,28,31-テトラオキソ-10,17,24,34-テトラチア-6,13,20,27,30,35,36,37,38-ノナアザヘキサシクロ[30.2.1.18,11 .115,18 .122,25 .02,7 ]オクタトリアコンタ-1(35),2,4,6,8,11(38),15,18(37),22,25(36),32-ウンデカエン-5-イル]-1,3-チアゾール-4-イル}-1,3-チアゾール-4-イル)ホルムアミド]-N-(2-オキソプロピル)ブタ-2-エンアミド
2-[(2-{2-[26-ethylidene-29-(1-hydroxyethyl)-19-(2-hydroxypropan-2-yl)-12-(1-methoxyethyl)-14,21,28,31-tetraoxo-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonaazahexacyclo[30.2.1.18,11 .115,18 .122,25 .02,7 ]octatriaconta-1(35),2,4,6,8,11(38),15,18(37),22,25(36),32-undecaen-5-yl]-1,3-thiazol-4-yl}-1,3-thiazol-4-yl)formamido]-N-(2-oxopropyl)but-2-enamide
Other name (2):
13′,19′-Didehydro-17′,19′-dideoxy-28,44-dihydro-41-hydroxy-44-methoxy-17′-oxomicrococcin P
YM-266184
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