Chem
J-GLOBAL ID：200907001564285850   Nikkaji number：J1.934.258A

TK-10

N-[(2S,3S)-2-ヒドロキシ-3-[(L-Glu-L-Ile-L-Asn-)アミノ]-5-メチルヘキシル]-L-Met-L-Val-L-Leu-L-Asp-NH2
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： C42H76N10O13S
Molecular formula furigana： C42-H76-N10-O13-S
Molecular weight： 961.190
InChI： InChI=1S/C42H76N10O13S/c1-10-23(8)35(52-37(60)24(43)11-12-32(55)56)42(65)50-29(17-31(44)54)40(63)47-26(15-20(2)3)30(53)19-46-25(13-14-66-9)38(61)51-34(22(6)7)41(64)49-28(16-21(4)5)39(62)48-27(36(45)59)18-33(57)58/h20-30,34-35,46,53H,10-19,43H2,1-9H3,(H2,44,54)(H2,45,59)(H,47,63)(H,48,62)(H,49,64)(H,50,65)(H,51,61)(H,52,60)(H,55,56)(H,57,58)/t23-,24-,25-,26-,27-,28-,29-,30-,34-,35-/m0/s1
InChI key： DNQPVNLIHBFIJS-WQWSPPNHSA-N
SMILES： CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)[C@@H](O)CN[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N
Systematic name  (3)：
  • N-[(2S,3S)-2-ヒドロキシ-3-[(L-Glu-L-Ile-L-Asn-)アミノ]-5-メチルヘキシル]-L-Met-L-Val-L-Leu-L-Asp-NH2
  • (4S)-4-アミノ-4-{[(1S,2S)-1-{[(1S)-2-カルバモイル-1-{[(2S,3S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-カルバモイル-2-カルボキシエチル]カルバモイル}-3-メチルブチル]カルバモイル}-2-メチルプロピル]カルバモイル}-3-(メチルスルファニル)プロピル]アミノ}-2-ヒドロキシ-5-メチルヘキサン-3-イル]カルバモイル}エチル]カルバモイル}-2-メチルブチル]カルバモイル}ブタン酸
  • (4S)-4-amino-4-{[(1S,2S)-1-{[(1S)-2-carbamoyl-1-{[(2S,3S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-(methylsulfanyl)propyl]amino}-2-hydroxy-5-methylhexan-3-yl]carbamoyl}ethyl]carbamoyl}-2-methylbutyl]carbamoyl}butanoic acid
Other name (2)：
  • N-[(2S,3S)-2-Hydroxy-3-[(L-Glu-L-Ile-L-Asn-)amino]-5-methylhexyl]-L-Met-L-Val-L-Leu-L-Asp-NH2
  • TK-10
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