Chem
J-GLOBAL ID：201707007799748476   Nikkaji number：J3.607.434E

Cyclo[L-Glu-L-Leu-D-Leu-L-Val-L-Asp-D-Leu-L-Leu-4-(8-methylnonyl)-2-deamino-D-aThr*-]

シクロ[L-Glu-L-Leu-D-Leu-L-Val-L-Asp-D-Leu-L-Leu-4-(8-メチルノニル)-2-デアミノ-D-aThr*-]
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： C52H91N7O13
Molecular formula furigana： C52-H91-N7-O13
Molecular weight： 1022.336
InChI： InChI=1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35?,36-,37?,38+,39+,40?,41?,45-/m0/s1
InChI key： DDULCZLFAKVKJB-RMWNEKNZSA-N
SMILES： CC(C)CCCCCCCCC1CC(=O)N[C@@H](CCC(=O)O)C(=O)NC(CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NC(CC(=O)O)C(=O)N[C@H](CC(C)C)C(=O)NC(CC(C)C)C(=O)O1
Systematic name  (3)：
  • シクロ[L-Glu-L-Leu-D-Leu-L-Val-L-Asp-D-Leu-L-Leu-4-(8-メチルノニル)-2-デアミノ-D-aThr*-]
  • 3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(カルボキシメチル)-25-(9-メチルデシル)-3,6,15,18-テトラキス(2-メチルプロピル)-2,5,8,11,14,17,20,23-オクタオキソ-12-(プロパン-2-イル)-1-オキサ-4,7,10,13,16,19,22-ヘプタアザシクロペンタコサン-21-イル]プロパン酸
  • 3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-(propan-2-yl)-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-21-yl]propanoic acid
Other name (1)：
  • Cyclo[L-Glu-L-Leu-D-Leu-L-Val-L-Asp-D-Leu-L-Leu-4-(8-methylnonyl)-2-deamino-D-aThr*-]
Thsaurus map：
Thesaurus Map

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