Chem
J-GLOBAL ID：200907000179812452   Nikkaji number：J2.698.867E

Cyclo(L-Val-L-Orn-L-Ala-L-Leu-D-Phe-L-Pro-L-Val-L-Orn-L-Leu-D-Phe-L-Pro-)

シクロ(L-Val-L-Orn-L-Ala-L-Leu-D-Phe-L-Pro-L-Val-L-Orn-L-Leu-D-Phe-L-Pro-)
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： C63H97N13O11
Molecular formula furigana： C63-H97-N13-O11
Molecular weight： 1212.549
InChI： InChI=1S/C63H97N13O11/c1-36(2)32-45-56(80)71-47(34-41-20-12-10-13-21-41)62(86)75-30-18-27-50(75)59(83)74-52(39(7)8)61(85)68-44(25-17-29-65)55(79)70-46(33-37(3)4)57(81)72-48(35-42-22-14-11-15-23-42)63(87)76-31-19-26-49(76)58(82)73-51(38(5)6)60(84)67-43(24-16-28-64)54(78)66-40(9)53(77)69-45/h10-15,20-23,36-40,43-52H,16-19,24-35,64-65H2,1-9H3,(H,66,78)(H,67,84)(H,68,85)(H,69,77)(H,70,79)(H,71,80)(H,72,81)(H,73,82)(H,74,83)/t40-,43-,44-,45-,46-,47+,48+,49-,50-,51-,52-/m0/s1
InChI key： DOVQZUNPFBJVJU-ZTIOVZCPSA-N
SMILES： CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O)C(C)C)C(C)C
Systematic name  (4)：
  • シクロ[L-Val-L-Orn-L-Ala-L-Leu-D-Phe-L-Pro-L-Val-L-Orn-L-Leu-D-Phe-L-Pro-]
  • シクロ(L-Val-L-Orn-L-Ala-L-Leu-D-Phe-L-Pro-L-Val-L-Orn-L-Leu-D-Phe-L-Pro-)
  • (3R,6S,9S,12S,15S,21R,24S,27S,30S,33S,36S)-9,30-ビス(3-アミノプロピル)-3,21-ジベンジル-27-メチル-6,24-ビス(2-メチルプロピル)-12,33-ビス(プロパン-2-イル)-1,4,7,10,13,19,22,25,28,31,34-ウンデカアザトリシクロ[34.3.0.015,19]ノナトリアコンタン-2,5,8,11,14,20,23,26,29,32,35-ウンデカオン
  • (3R,6S,9S,12S,15S,21R,24S,27S,30S,33S,36S)-9,30-bis(3-aminopropyl)-3,21-dibenzyl-27-methyl-6,24-bis(2-methylpropyl)-12,33-bis(propan-2-yl)-1,4,7,10,13,19,22,25,28,31,34-undecaazatricyclo[34.3.0.015,19]nonatriacontan-2,5,8,11,14,20,23,26,29,32,35-undecone
Other name (2)：
  • Cyclo[L-Val-L-Orn-L-Ala-L-Leu-D-Phe-L-Pro-L-Val-L-Orn-L-Leu-D-Phe-L-Pro-]
  • Cyclo(L-Val-L-Orn-L-Ala-L-Leu-D-Phe-L-Pro-L-Val-L-Orn-L-Leu-D-Phe-L-Pro-)
Thsaurus map：
Thesaurus Map

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