Chem
J-GLOBAL ID：200907079083884180   Nikkaji number：J23.724H

Octreotide

オクトレオチド
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： C49H66N10O10S2
Molecular formula furigana： C49-H66-N10-O10-S2
Molecular weight： 1019.250
InChI： InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37?,38-,39-,40+,41?,42?/m1/s1
InChI key： DEQANNDTNATYII-UNLRCBRYSA-N
SMILES： C[C@@H](O)[C@@H](CO)NC(=O)C1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)NC([C@@H](C)O)C(=O)N1
Systematic name  (4)：
  • D-Phe-L-Cys(1)-L-Phe-D-Trp-L-Lys-L-Thr-L-Cys(1)-N-[(1R,2R)-2-ヒドロキシ-1-(ヒドロキシメチル)プロピル]-NH2
  • D-Phe-Cys(1)-Phe-D-Trp-Lys-Thr-Cys(1)-N-[(1R,2R)-1-(ヒドロキシメチル)-2-ヒドロキシプロピル]-NH2
  • (4R,7S,10S,13R,16S,19R)-19-[(2R)-2-アミノ-3-フェニルプロパンアミド]-10-(4-アミノブチル)-16-ベンジル-N-[(2R,3R)-1,3-ジヒドロキシブタン-2-イル]-7-[(1R)-1-ヒドロキシエチル]-13-[(1H-インドール-3-イル)メチル]-6,9,12,15,18-ペンタオキソ-1,2-ジチア-5,8,11,14,17-ペンタアザシクロイコサン-4-カルボキサミド
  • (4R,7S,10S,13R,16S,19R)-19-[(2R)-2-amino-3-phenylpropanamido]-10-(4-aminobutyl)-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
Other name (6)：
  • SMS-201-995
  • オクトレオチド
  • Octreotide
  • D-Phe-L-Cys(1)-L-Phe-D-Trp-L-Lys-L-Thr-L-Cys(1)-N-[(1R,2R)-2-Hydroxy-1-(hydroxymethyl)propyl]-NH2
  • SMS-201995
Show all
CAS registry number： 83150-76-9
KEGG DRUG： D00442
KEGG COMPOUND： C07306
Application (3)：
antihormone ,  antitumor drug ,  narcotic antagonist
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