Chem
J-GLOBAL ID：201507076443599219   Nikkaji number：J3.380.966B

Lysocin E

ライソシンE
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： C75H115N19O21
Molecular formula furigana： C75-H115-N19-O21
Molecular weight： 1618.857
InChI： InChI=1S/C75H115N19O21/c1-10-40(6)60-71(113)92-61(41(7)96)73(115)94(56(99)34-45(98)30-38(2)3)62(42(8)97)72(114)87-49(23-17-29-81-75(78)79)65(107)90-54(37-95)63(105)83-36-57(100)93(9)55(32-43-18-12-11-13-19-43)70(112)89-52(31-39(4)5)68(110)84-48(22-16-28-80-74(76)77)64(106)85-50(24-26-58(101)102)66(108)86-51(25-27-59(103)104)67(109)88-53(69(111)91-60)33-44-35-82-47-21-15-14-20-46(44)47/h11-15,18-21,35,38-42,45,48-55,60-62,82,95-98H,10,16-17,22-34,36-37H2,1-9H3,(H,83,105)(H,84,110)(H,85,106)(H,86,108)(H,87,114)(H,88,109)(H,89,112)(H,90,107)(H,91,111)(H,92,113)(H,101,102)(H,103,104)(H4,76,77,80)(H4,78,79,81)/t40-,41+,42+,45+,48+,49+,50-,51+,52-,53+,54-,55+,60-,61-,62-/m0/s1
InChI key： CCYQSEATUTXBRQ-QKMPCYKKSA-N
SMILES： CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)N(C(=O)C[C@H](O)CC(C)C)C(=O)[C@@H](NC1=O)[C@@H](C)O
Systematic name  (4)：
  • N-[(R)-3-ヒドロキシ-5-メチルヘキサノイル]シクロ[Thr-D-Arg-Ser-Gly-N-メチル-D-Phe-Leu-D-Arg-Glu-D-Glu-D-Trp-Ile-Thr-]
  • N-[(R)-3-ヒドロキシ-5-メチルヘキサノイル]シクロ[L-Thr-D-Arg-L-Ser-Gly-N-メチル-D-Phe-L-Leu-D-Arg-L-Glu-D-Glu-D-Trp-L-Ile-L-Thr-]
  • 3-[(2R,5R,8S,11S,14S,17R,20S,26R,29S,32R,35S)-26-ベンジル-8-[(2S)-ブタン-2-イル]-17,32-ビス(3-カルバムイミドアミドプロピル)-35-(2-カルボキシエチル)-13-[(3R)-3-ヒドロキシ-5-メチルヘキサノイル]-11,14-ビス[(1R)-1-ヒドロキシエチル]-20-(ヒドロキシメチル)-5-[(1H-インドール-3-イル)メチル]-25-メチル-29-(2-メチルプロピル)-3,6,9,12,15,18,21,24,27,30,33,36-ドデカオキソ-1,4,7,10,13,16,19,22,25,28,31,34-ドデカアザシクロヘキサトリアコンタン-2-イル]プロパン酸
  • 3-[(2R,5R,8S,11S,14S,17R,20S,26R,29S,32R,35S)-26-benzyl-8-[(2S)-butan-2-yl]-17,32-bis(3-carbamimidamidopropyl)-35-(2-carboxyethyl)-13-[(3R)-3-hydroxy-5-methylhexanoyl]-11,14-bis[(1R)-1-hydroxyethyl]-20-(hydroxymethyl)-5-[(1H-indol-3-yl)methyl]-25-methyl-29-(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxo-1,4,7,10,13,16,19,22,25,28,31,34-dodecaazacyclohexatriacontan-2-yl]propanoic acid
Other name (5)：
  • N-[(R)-3-Hydroxy-5-methylhexanoyl]cyclo[Thr-D-Arg-Ser-Gly-N-methyl-D-Phe-Leu-D-Arg-Glu-D-Glu-D-Trp-Ile-Thr-]
  • リソシンE
  • Lysocin E
  • ライソシンE
  • N-[(R)-3-Hydroxy-5-methylhexanoyl]cyclo[L-Thr-D-Arg-L-Ser-Gly-N-methyl-D-Phe-L-Leu-D-Arg-L-Glu-D-Glu-D-Trp-L-Ile-L-Thr-]
Thsaurus map：
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