Chem
J-GLOBAL ID：200907000260514482   Nikkaji number：J492.986A

Quinupristin

キヌプリスチン
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： C53H67N9O10S
Molecular formula furigana： C53-H67-N9-O10-S
Molecular weight： 1022.230
InChI： InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35+,37-,38+,39+,40+,43-,44+,45+/m1/s1
InChI key： WTHRRGMBUAHGNI-LCYNINFDSA-N
SMILES： CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H]2CC(=O)[C@H](CS[C@@H]3CN4CCC3CC4)CN2C(=O)[C@H](Cc2ccc(cc2)N(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O)c1ccccc1
Systematic name  (3)：
  • N-[(3-ヒドロキシ-2-ピリジニル)カルボニル]シクロ(L-Thr*-D-Abu-L-Pro-N-メチル-4-(ジメチルアミノ)-L-Phe-5α-[[(キヌクリジン-3β-イル)チオ]メチル]-4-オキソ-L-Hpr-L-フェニルGly-)
  • N-[(3S,6S,12R,15S,16R,19S,22S,25R)-25-{[(3S)-1-アザビシクロ[2.2.2]オクタン-3-イルスルファニル]メチル}-3-{[4-(ジメチルアミノ)フェニル]メチル}-12-エチル-4,16-ジメチル-2,5,11,14,18,21,24-ヘプタオキソ-19-フェニル-17-オキサ-1,4,10,13,20-ペンタアザトリシクロ[20.4.0.06,10]ヘキサコサン-15-イル]-3-ヒドロキシピリジン-2-カルボキサミド
  • N-[(3S,6S,12R,15S,16R,19S,22S,25R)-25-{[(3S)-1-azabicyclo[2.2.2]octan-3-ylsulfanyl]methyl}-3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide
Other name (6)：
  • N-[(3-Hydroxy-2-pyridinyl)carbonyl]cyclo(L-Thr*-D-Abu-L-Pro-N-methyl-4-(dimethylamino)-L-Phe-5α-[[(quinuclidin-3β-yl)thio]methyl]-4-oxo-L-Hpr-L-phenyl Gly-)
  • キヌプリスチン
  • 抗生物質RP-57669
  • Quinupristin
  • Antibiotic RP-57669
Show all
CAS registry number： 120138-50-3
KEGG DRUG： D00852
KEGG COMPOUND： C08032
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