Chem
J-GLOBAL ID：200907000623541517   Nikkaji number：J358.678B

Iturin A2

イツリンA2
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： C48H74N12O14
Molecular formula furigana： C48-H74-N12-O14
Molecular weight： 1043.190
InChI： InChI=1S/C48H74N12O14/c1-2-3-4-5-6-7-8-9-10-12-28-22-41(67)54-32(23-38(50)64)43(69)56-31(21-27-14-16-29(62)17-15-27)42(68)57-33(24-39(51)65)44(70)55-30(18-19-37(49)63)48(74)60-20-11-13-36(60)47(73)58-34(25-40(52)66)45(71)59-35(26-61)46(72)53-28/h14-17,28,30-36,61-62H,2-13,18-26H2,1H3,(H2,49,63)(H2,50,64)(H2,51,65)(H2,52,66)(H,53,72)(H,54,67)(H,55,70)(H,56,69)(H,57,68)(H,58,73)(H,59,71)/t28?,30?,31-,32?,33?,34?,35+,36+/m1/s1
InChI key： HNAPWDKFUSLFFE-AZKNICJJSA-N
SMILES： CCCCCCCCCCCC1CC(=O)NC(CC(=O)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)N2CCC[C@H]2C(=O)NC(CC(=O)N)C(=O)N[C@@H](CO)C(=O)N1
Systematic name  (4)：
  • シクロ[D-Tyr-D-Asp(NH2)-L-Glu(NH2)-L-Pro-D-Asp(NH2)-L-Ser-3-ウンデシル-βAla-L-Asp(NH2)-]
  • シクロ[D-Tyr-D-Asn-L-Gln-L-Pro-D-Asn-L-Ser-3-ウンデシル-βAla-L-Asn-]
  • 3-[(3R,6S,13S,16R,19R,22S,27aS)-3,13,19-トリス(カルバモイルメチル)-6-(ヒドロキシメチル)-16-[(4-ヒドロキシフェニル)メチル]-1,4,7,11,14,17,20,23-オクタオキソ-9-ウンデシル-ヘキサコサヒドロ-1H-ピロロ[2,1-i]1,4,7,10,13,16,19,22-オクタアザシクロペンタコサン-22-イル]プロパンアミド
  • 3-[(3R,6S,13S,16R,19R,22S,27aS)-3,13,19-tris(carbamoylmethyl)-6-(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-1,4,7,11,14,17,20,23-octaoxo-9-undecyl-hexacosahydro-1H-pyrrolo[2,1-i]1,4,7,10,13,16,19,22-octaazacyclopentacosan-22-yl]propanamide
Other name (9)：
  • イツリンA2
  • Antibiotic IOW-2
  • IOW-2
  • Iturin A2
  • 抗生物質IOW-2
Show all
CAS registry number： 83785-07-3
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