Chem
J-GLOBAL ID：200907060534647754   Nikkaji number：J459.826A

[deamino-Pen1,Tyr(Me)2]arginine vasopressin

[デアミノPen1,Tyr(Me)2]アルギニンバソプレッシン
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： C49H70N14O12S2
Molecular formula furigana： C49-H70-N14-O12-S2
Molecular weight： 1111.310
InChI： InChI=1S/C49H70N14O12S2/c1-49(2)24-40(67)57-32(22-28-13-15-29(75-3)16-14-28)43(70)60-33(21-27-9-5-4-6-10-27)44(71)58-31(17-18-37(50)64)42(69)61-34(23-38(51)65)45(72)62-35(26-76-77-49)47(74)63-20-8-12-36(63)46(73)59-30(11-7-19-55-48(53)54)41(68)56-25-39(52)66/h4-6,9-10,13-16,30-36H,7-8,11-12,17-26H2,1-3H3,(H2,50,64)(H2,51,65)(H2,52,66)(H,56,68)(H,57,67)(H,58,71)(H,59,73)(H,60,70)(H,61,69)(H,62,72)(H4,53,54,55)/t30-,31-,32?,33?,34-,35?,36-/m0/s1
InChI key： HNOGCDKPALYUIG-OIKVTDMESA-N
SMILES： COc1ccc(CC2NC(=O)CC(C)(C)SSCC(NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)C(Cc3ccccc3)NC2=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N)cc1
Systematic name  (6)：
  • 2-デアミノ-D-Pen(1)-O-メチル-L-Tyr-L-Phe-L-Gln-L-Asn-L-Cys(1)-L-Pro-L-Arg-Gly-NH2
  • N-[3-メチル-3-メルカプト(1)ブチリル]-O-メチル-L-Tyr-L-Phe-L-Gln-L-Asn-L-Cys(1)-L-Pro-L-Arg-Gly-NH2
  • 2-デアミノPen(1)-O-メチル-L-Tyr-L-Phe-L-Gln-L-Asn-L-Cys(1)-L-Pro-L-Arg-Gly-NH2
  • N-[3-メルカプト(1)-3-メチルブチリル]-O-メチル-Tyr-Phe-Glu(NH2)-Asp(NH2)-Cys(1)-Pro-Arg-Gly-NH2
  • (2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S)-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-メトキシフェニル)メチル]-20,20-ジメチル-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-N-(カルバモイルメチル)ペンタンアミド
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Other name (9)：
  • N-[3-Methyl-3-mercapto(1)butyryl]-O-methyl-L-Tyr-L-Phe-L-Gln-L-Asn-L-Cys(1)-L-Pro-L-Arg-Gly-NH2
  • [デアミノ-Pen1,O-メチル-Tyr2,Arg8]バソプレッシン
  • [Deamino-Pen1,O-methyl-Tyr2,Arg8]vasopressin
  • [デアミノ-Pen1,Tyr(Me)2,Arg8]バソプレッシン
  • 2-Deamino Pen(1)-O-methyl-L-Tyr-L-Phe-L-Gln-L-Asn-L-Cys(1)-L-Pro-L-Arg-Gly-NH2
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Thsaurus map：
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