Chem
J-GLOBAL ID：200907034269074959   Nikkaji number：J458.637I

[d(CH2)5,D-Ile2,Ile4]AVP

[d(CH2)5,D-Ile2,Ile4]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： C49H77N13O10S2
Molecular formula furigana： C49-H77-N13-O10-S2
Molecular weight： 1072.360
InChI： InChI=1S/C49H77N13O10S2/c1-5-28(3)39-45(70)57-32(23-30-15-9-7-10-16-30)43(68)61-40(29(4)6-2)46(71)58-33(24-36(50)63)42(67)59-34(27-73-74-49(25-38(65)60-39)19-11-8-12-20-49)47(72)62-22-14-18-35(62)44(69)56-31(17-13-21-54-48(52)53)41(66)55-26-37(51)64/h7,9-10,15-16,28-29,31-35,39-40H,5-6,8,11-14,17-27H2,1-4H3,(H2,50,63)(H2,51,64)(H,55,66)(H,56,69)(H,57,70)(H,58,71)(H,59,67)(H,60,65)(H,61,68)(H4,52,53,54)/t28-,29+,31+,32?,33+,34?,35+,39-,40+/m1/s1
InChI key： HNHJZKAMXYQYEK-MLCZNEAGSA-N
SMILES： CC[C@@H](C)[C@H]1NC(=O)CC2(CCCCC2)SSCC(NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)C(Cc2ccccc2)NC1=O)[C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N
Systematic name  (4)：
  • 3-メルカプト(1)-3,3-ペンタメチレンプロピオニル-D-Ile-L-Phe-L-Ile-L-Asp(NH2)-L-Cys(1)-L-Pro-L-Arg-Gly-NH2
  • N-[1-メルカプト(1)シクロヘキシルアセチル]-D-Ile-L-Phe-L-Ile-L-Asn-L-Cys(1)-L-Pro-L-Arg-Gly-NH2
  • (2S)-2-{[(2S)-1-[(10R,13S,16S,19S,22R)-19-ベンジル-22-[(2R)-ブタン-2-イル]-16-[(2S)-ブタン-2-イル]-13-(カルバモイルメチル)-12,15,18,21,24-ペンタオキソ-7,8-ジチア-11,14,17,20,23-ペンタアザスピロ[5.19]ペンタコサン-10-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
  • (2S)-2-{[(2S)-1-[(10R,13S,16S,19S,22R)-19-benzyl-22-[(2R)-butan-2-yl]-16-[(2S)-butan-2-yl]-13-(carbamoylmethyl)-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamido-N-(carbamoylmethyl)pentanamide
Other name (10)：
  • [(3-メルカプト-3,3-ペンタメチレンプロピオン酸)1,D-Ile2,Ile4]AVP
  • [(3-Mercapto-3,3-pentamethylenepropionic acid)1,D-Ile2,Ile4]AVP
  • N-[1-Mercapto(1)cyclohexylacetyl]-D-Ile-L-Phe-L-Ile-L-Asn-L-Cys(1)-L-Pro-L-Arg-Gly-NH2
  • 3-Mercapto(1)-3,3-pentamethylenepropionyl-D-Ile-L-Phe-L-Ile-L-Asp(NH2)-L-Cys(1)-L-Pro-L-Arg-Gly-NH2
  • [d(CH2)5,D-Ile2,Ile4]アルギニンバソプレッシン
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