Chem
J-GLOBAL ID：200907014471086062   Nikkaji number：J356.271I

Vasopressin

バソプレシン
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： C43H55N12O12S2
Molecular formula furigana： C43-H55-N12-O12-S2
Molecular weight： 996.110
InChI： InChI=1S/C43H55N12O12S2/c1-22(36(60)48-19-35(47)59)49-42(66)32-8-5-15-55(32)43(67)31-21-69-68-20-26(44)37(61)51-28(17-24-9-11-25(56)12-10-24)40(64)52-29(16-23-6-3-2-4-7-23)39(63)50-27(13-14-33(45)57)38(62)53-30(18-34(46)58)41(65)54-31/h2-4,6-7,9-12,22,26-32,56H,5,8,13-21,44H2,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,60)(H,49,66)(H,50,63)(H,51,61)(H,52,64)(H,53,62)(H,54,65)/t22?,26-,27-,28?,29-,30?,31?,32-/m0/s1
InChI key： RHVFQQQNJKJJLM-XRULYCKFSA-N
SMILES： [C]C(NC(=O)[C@@H]1CCCN1C(=O)C1CSSC[C@H](N)C(=O)NC(Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)N1)C(=O)NCC(=O)N
Systematic name  (3)：
  • Cys(1)-Tyr-Phe-Glu(NH2)-Asp(NH2)-Cys(1)-Pro-Xaa-Gly-NH2
  • 2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-アミノ-13-ベンジル-10-(2-カルバモイルエチル)-7-(カルバモイルメチル)-16-[(4-ヒドロキシフェニル)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-カルボニル]ピロリジン-2-イル]ホルムアミド}-2-[(カルバモイルメチル)カルバモイル]エチリジン
  • 2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-13-benzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-2-[(carbamoylmethyl)carbamoyl]ethylidyne
Other name (3)：
  • バソプレッシン
  • Vasopressin
  • バソプレシン
CAS registry number： 11000-17-2
KEGG DRUG： D00101
KEGG COMPOUND： C00840
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