Chem
J-GLOBAL ID：200907041675718871   Nikkaji number：J152.107A

Thiostrepton

チオストレプトン
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： C72H85N19O18S5
Molecular formula furigana： C72-H85-N19-O18-S5
Molecular weight： 1664.890
InChI： InChI=1S/C72H85N19O18S5/c1-14-26(3)47-63(105)78-30(7)57(99)75-28(5)56(98)76-31(8)58(100)91-72-19-18-40(66-85-43(22-111-66)59(101)77-29(6)55(97)74-27(4)54(73)96)81-52(72)42-21-112-67(83-42)49(34(11)109-69(107)41-20-37(32(9)92)36-16-17-39(79-47)51(95)50(36)80-41)89-60(102)44-24-113-68(86-44)53(71(13,108)35(12)94)90-62(104)45-23-110-65(84-45)38(15-2)82-64(106)48(33(10)93)88-61(103)46-25-114-70(72)87-46/h15-17,20-22,24-26,30-35,39,45,47-49,51-53,79,92-95,108H,4-6,14,18-19,23H2,1-3,7-13H3,(H2,73,96)(H,74,97)(H,75,99)(H,76,98)(H,77,101)(H,78,105)(H,82,106)(H,88,103)(H,89,102)(H,90,104)(H,91,100)/b38-15-/t26-,30+,31+,32-,33+,34+,35+,39+,45+,47-,48-,49-,51-,52+,53+,71+,72+/m0/s1
InChI key： NSFFHOGKXHRQEW-KMZLDNPASA-N
SMILES： CC[C@H](C)[C@@H]1N[C@@H]2C=Cc3c(cc(nc3[C@H]2O)C(=O)O[C@H](C)[C@@H]2NC(=O)c3csc(n3)[C@@H](NC(=O)[C@H]3CSC(=N3)/C(=C/C)/NC(=O)[C@@H](NC(=O)c3csc(n3)[C@]3(CCC(=N[C@@H]3c3csc2n3)c2nc(cs2)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)[C@@H](C)NC1=O)[C@@H](C)O)[C@](C)(O)[C@@H](C)O)[C@H](C)O
Systematic name  (3)：
  • チオストレプトン
  • 2-({2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,40R,46R,53S,59S)-37-[(2S)-ブタン-2-イル]-18-[(2S,3R)-2,3-ジヒドロキシブタン-2-イル]-11-エチリデン-59-ヒドロキシ-8-[(1R)-1-ヒドロキシエチル]-60-[(1S)-1-ヒドロキシエチル]-26,40,46-トリメチル-43-メチリデン-6,9,16,23,28,38,41,44,47-ノナオキソ-27-オキサ-3,13,20,56-テトラチア-7,10,17,24,30,36,39,42,45,48,52,58,62,63,64-ペンタデカアザノナシクロ[23.23.9.229,32.12,5.112,15.119,22.131,35.154,57.01,53]テトラヘキサコンタ-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-ドデカエン-51-イル]-1,3-チアゾール-4-イル}ホルムアミド)-N-(1-カルバモイルエタ-1-エン-1-イル)プロパ-2-エンアミド
  • 2-({2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,40R,46R,53S,59S)-37-[(2S)-butan-2-yl]-18-[(2S,3R)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-60-[(1S)-1-hydroxyethyl]-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,30,36,39,42,45,48,52,58,62,63,64-pentadecaazanonacyclo[23.23.9.229,32.12,5.112,15.119,22.131,35.154,57.01,53]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazol-4-yl}formamido)-N-(1-carbamoyleth-1-en-1-yl)prop-2-enamide
Other name (7)：
  • ブリアマイシン
  • Thiactin
  • Bryamycin
  • チアクチン
  • Thiostrepton
Show all
CAS registry number： 1393-48-2
Regulation number (1)：
  • EINECS2157349
KEGG DRUG： D06111
KEGG COMPOUND： C12054
Application (2)：
peptide antibiotics ,  antibacterial drug
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