Chem
J-GLOBAL ID：200907024289253129   Nikkaji number：J367.650A

(L-Arg8,Desglycineamide9)vasopressin

[L-Arg8,デスグリシンアミド9]バソプレッシン
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： C44H61N13O12S2
Molecular formula furigana： C44-H61-N13-O12-S2
Molecular weight： 1028.170
InChI： InChI=1S/C44H61N13O12S2/c45-26-21-70-71-22-32(42(67)57-17-5-9-33(57)41(66)52-28(43(68)69)8-4-16-50-44(48)49)56-40(65)31(20-35(47)60)55-37(62)27(14-15-34(46)59)51-38(63)30(18-23-6-2-1-3-7-23)54-39(64)29(53-36(26)61)19-24-10-12-25(58)13-11-24/h1-3,6-7,10-13,26-33,58H,4-5,8-9,14-22,45H2,(H2,46,59)(H2,47,60)(H,51,63)(H,52,66)(H,53,61)(H,54,64)(H,55,62)(H,56,65)(H,68,69)(H4,48,49,50)/t26-,27-,28-,29?,30-,31?,32-,33-/m0/s1
InChI key： SXYIOPJBWYQZRQ-PBASCTPXSA-N
SMILES： N[C@H]1CSSC[C@H](NC(=O)C(CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Systematic name  (3)：
  • L-Cys(1)-L-Tyr-L-Phe-L-Gln-L-Asn-L-Cys(1)-L-Pro-L-Arg-OH
  • (2S)-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}-5-カルバムイミドアミドペンタン酸
  • (2S)-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}-5-carbamimidamidopentanoic acid
Other name (2)：
  • [L-Arg8,デスグリシンアミド9]バソプレッシン
  • [L-Arg8,Desglycineamide9]vasopressin
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