Chem
J-GLOBAL ID：200907070654232472   Nikkaji number：J390.648E

RC-160

RC-160
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： C57H70N12O9S2
Molecular formula furigana： C57-H70-N12-O9-S2
Molecular weight： 1131.380
InChI： InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)/t40-,43+,44+,45+,46?,47?,48?,49?/m1/s1
InChI key： SWXOGPJRIDTIRL-GVYYOKGQSA-N
SMILES： CC(C)C1NC(=O)[C@H](CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N)NC(=O)[C@H](N)Cc1ccccc1
Systematic name  (3)：
  • D-Phe-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-Val-L-Cys(1)-L-Trp-NH2
  • (2R)-2-アミノ-N-[(4R,7S,10S,13R,16S,19R)-10-(4-アミノブチル)-4-{[(1S)-1-カルバモイル-2-(1H-インドール-3-イル)エチル]カルバモイル}-16-[(4-ヒドロキシフェニル)メチル]-13-[(1H-インドール-3-イル)メチル]-6,9,12,15,18-ペンタオキソ-7-(プロパン-2-イル)-1,2-ジチア-5,8,11,14,17-ペンタアザシクロイコサン-19-イル]-3-フェニルプロパンアミド
  • (2R)-2-amino-N-[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]-3-phenylpropanamide
Other name (5)：
  • RC-160
  • バプレオチド
  • Vapreotide
  • オクタスタチン
  • Octastatin
CAS registry number： 103222-11-3
KEGG DRUG： D06281
Application (2)：
analgesic ,  antitumor drug
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