Chem
J-GLOBAL ID：200907041569345160   Nikkaji number：J488.542B

Leucinostatin H

ロイシノスタチンH
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： C57H103N10[N+]O11[O-]
Molecular formula furigana： C57-H103-N11-O12
Molecular weight： 1134.516
InChI： InChI=1S/C57H103N11O12/c1-21-36(10)22-23-44(70)67-30-37(11)29-42(67)50(75)61-39(26-32(2)3)48(73)63-45(46(71)35(8)9)51(76)65-56(15,16)53(78)62-40(27-33(4)5)47(72)60-41(28-34(6)7)49(74)64-57(17,18)54(79)66-55(13,14)52(77)58-25-24-43(69)59-38(12)31-68(19,20)80/h22-23,32-42,45-46,71H,21,24-31H2,1-20H3,(H,58,77)(H,59,69)(H,60,72)(H,61,75)(H,62,78)(H,63,73)(H,64,74)(H,65,76)(H,66,79)/b23-22+/t36-,37-,38-,39-,40-,41-,42-,45-,46+/m0/s1
InChI key： YSPNHJIQHQTTOK-SAJJJFMKSA-N
SMILES： CC[C@H](C)/C=C/C(=O)N1C[C@@H](C)C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@H](O)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)C[N+](C)(C)[O-]
Systematic name  (3)：
  • 1-[(2E,4S)-4-メチル-2-ヘキセノイル]-4α-メチル-L-Pro-L-Leu-4,4-ジメチル-L-Thr-2-メチルAla-L-Leu-L-Leu-2-メチルAla-2-メチルAla-βAla-[(S)-1-メチル-2-(ジメチルオキシドアミノ)エチル]NH2
  • (2S,3R)-N-(1-{[(1S)-1-{[(1S)-1-{[1-({1-[(2-{[(2S)-1-(ジメチル-オキソ-λ5-アザニル)プロパン-2-イル]カルバモイル}エチル)カルバモイル]-1-メチルエチル}カルバモイル)-1-メチルエチル]カルバモイル}-3-メチルブチル]カルバモイル}-3-メチルブチル]カルバモイル}-1-メチルエチル)-3-ヒドロキシ-4-メチル-2-[(2S)-4-メチル-2-{[(2S,4S)-4-メチル-1-[(2E,4S)-4-メチルヘキサ-2-エノイル]ピロリジン-2-イル]ホルムアミド}ペンタンアミド]ペンタンアミド
  • (2S,3R)-N-(1-{[(1S)-1-{[(1S)-1-{[1-({1-[(2-{[(2S)-1-(dimethyl-oxo-λ5-azanyl)propan-2-yl]carbamoyl}ethyl)carbamoyl]-1-methylethyl}carbamoyl)-1-methylethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-1-methylethyl)-3-hydroxy-4-methyl-2-[(2S)-4-methyl-2-{[(2S,4S)-4-methyl-1-[(2E,4S)-4-methylhex-2-enoyl]pyrrolidin-2-yl]formamido}pentanamido]pentanamide
Other name (3)：
  • ロイシノスタチンH
  • Leucinostatin H
  • 1-[(2E,4S)-4-Methyl-2-hexenoyl]-4α-methyl-L-Pro-L-Leu-4,4-dimethyl-L-Thr-2-methyl Ala-L-Leu-L-Leu-2-methyl Ala-2-methyl Ala-βAla-[(S)-1-methyl-2-(dimethyl oxide amino)ethyl]NH2 ester
CAS registry number： 109539-58-4
Application (2)：
peptide antibiotics ,  mycotoxin
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