Chem
J-GLOBAL ID：201007049147269595   Nikkaji number：J2.788.124F

Nocardithiocin

ノカルジチオシン
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： C48H48N12O11S6
Molecular formula furigana： C48-H48-N12-O11-S6
Molecular weight： 1161.350
InChI： InChI=1S/C48H48N12O11S6/c1-9-23(47(68)71-8)50-36(63)27-15-74-44(55-27)31-18-75-42(57-31)24-11-10-22-34(49-24)26-13-77-46(52-26)35(48(6,69)21(5)62)60-39(66)30-17-76-45(56-30)32(19(2)3)58-37(64)29-16-73-43(54-29)25(12-70-7)51-40(67)33(20(4)61)59-38(65)28-14-72-41(22)53-28/h9-21,32-33,35,61-62,69H,1-8H3,(H,50,63)(H,51,67)(H,58,64)(H,59,65)(H,60,66)/t20-,21?,32+,33+,35?,48?/m1/s1
InChI key： DLESJQYHVXNXOP-HPYLQOGOSA-N
SMILES： COC=C1NC(=O)[C@@H](NC(=O)c2csc(n2)c2ccc(nc2c2csc(n2)C(NC(=O)c2csc(n2)[C@@H](NC(=O)c2csc1n2)C(C)C)C(C)(O)C(C)O)c1nc(cs1)c1nc(cs1)C(=O)NC(=CC)C(=O)OC)[C@@H](C)O
Systematic name  (3)：
  • (8S,18S)-25-(1,2-ジヒドロキシ-1-メチルプロピル)-8-[(R)-1-ヒドロキシエチル]-18-イソプロピル-32-[4′-[[1-(メトキシカルボニル)-1-プロペニル]カルバモイル]-4,2′-ビチアゾール-2-イル]-11-(メトキシメチレン)-5,2:15,12:22,19:29,26-テトラキスエピニトリロ-6,9,16,23-テトラオキソ-3,13,20,27-テトラチア-7,10,17,24,31-ペンタアザビシクロ[28.4.0]テトラトリアコンタン-1(34),4,14,21,28,30,32-ヘプタエン
  • メチル 2-[(2-{2-[(19S,29S)-12-(2,3-ジヒドロキシブタン-2-イル)-29-[(1R)-1-ヒドロキシエチル]-26-(メトキシメチリデン)-14,21,28,31-テトラオキソ-19-(プロパン-2-イル)-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]ブタ-2-エノアート
  • methyl 2-[(2-{2-[(19S,29S)-12-(2,3-dihydroxybutan-2-yl)-29-[(1R)-1-hydroxyethyl]-26-(methoxymethylidene)-14,21,28,31-tetraoxo-19-(propan-2-yl)-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]but-2-enoate
Other name (3)：
  • (8S,18S)-25-(1,2-Dihydroxy-1-methylpropyl)-8-[(R)-1-hydroxyethyl]-18-isopropyl-32-[4′-[[1-(methoxycarbonyl)-1-propenyl]carbamoyl]-4,2′-bithiazole-2-yl]-11-(methoxymethylene)-5,2:15,12:22,19:29,26-tetrakisepinitrilo-6,9,16,23-tetraoxo-3,13,20,27-tetrathia-7,10,17,24,31-pentaazabicyclo[28.4.0]tetratriacontane-1(34),4,14,21,28,30,32-heptaene
  • Nocardithiocin
  • ノカルジチオシン
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