Chem
J-GLOBAL ID：200907015801795100   Nikkaji number：J398.751E

Endothelin 2 (mouse)

エンドセリン2【マウス】
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： C116H161N27O32S4
Molecular formula furigana： C116-H161-N27-O32-S4
Molecular weight： 2573.960
InChI： InChI=1S/C116H161N27O32S4/c1-11-59(9)94(114(172)135-83(116(174)175)41-64-47-122-71-27-19-17-25-68(64)71)143-115(173)95(60(10)12-2)142-107(165)82(45-92(152)153)133-100(158)75(37-57(5)6)127-104(162)79(42-65-48-120-55-123-65)130-110(168)86-52-177-176-51-69(118)96(154)136-84(49-144)109(167)140-87-53-178-179-54-88(112(170)141-93(58(7)8)113(171)134-77(39-62-29-31-66(146)32-30-62)101(159)128-76(102(160)139-86)38-61-22-14-13-15-23-61)138-98(156)73(33-34-90(148)149)125-97(155)72(28-20-21-35-117)124-106(164)81(44-91(150)151)132-99(157)74(36-56(3)4)126-103(161)78(40-63-46-121-70-26-18-16-24-67(63)70)129-108(166)85(50-145)137-105(163)80(43-89(119)147)131-111(87)169/h13-19,22-27,29-32,46-48,55-60,69,72-88,93-95,121-122,144-146H,11-12,20-21,28,33-45,49-54,117-118H2,1-10H3,(H2,119,147)(H,120,123)(H,124,164)(H,125,155)(H,126,161)(H,127,162)(H,128,159)(H,129,166)(H,130,168)(H,131,169)(H,132,157)(H,133,158)(H,134,171)(H,135,172)(H,136,154)(H,137,163)(H,138,156)(H,139,160)(H,140,167)(H,141,170)(H,142,165)(H,143,173)(H,148,149)(H,150,151)(H,152,153)(H,174,175)/t59-,60-,69-,72?,73-,74-,75-,76-,77?,78-,79-,80-,81?,82-,83-,84?,85?,86-,87-,88-,93-,94-,95-/m0/s1
InChI key： SNFRCIMVSJSLQM-WFLWGBTBSA-N
SMILES： CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)NC(CO)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C(CO)NC(=O)[C@H](CC(=O)N)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)NC(Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
Systematic name  (3)：
  • L-Cys(1)-L-Ser-L-Cys(2)-L-Asn-L-Ser-L-Trp-L-Leu-L-Asp-L-Lys-L-Glu-L-Cys(2)-L-Val-L-Tyr-L-Phe-L-Cys(1)-L-His-L-Leu-L-Asp-L-Ile-L-Ile-L-Trp-OH
  • (3S)-3-[(2S)-2-[(2S)-2-{[(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-アミノ-7-(4-アミノブチル)-39-ベンジル-22-(カルバモイルメチル)-4-(2-カルボキシエチル)-10-(カルボキシメチル)-19,28-ビス(ヒドロキシメチル)-42-[(4-ヒドロキシフェニル)メチル]-16-[(1H-インドール-3-イル)メチル]-13-(2-メチルプロピル)-3,6,9,12,15,18,21,24,27,30,38,41,44,47-テトラデカオキソ-45-(プロパン-2-イル)-33,34,49,50-テトラチア-2,5,8,11,14,17,20,23,26,29,37,40,43,46-テトラデカアザビシクロ[23.22.4]ヘンペンタコンタン-36-イル]ホルムアミド}-3-(1H-イミダゾール-4-イル)プロパンアミド]-4-メチルペンタンアミド]-3-{[(1S,2S)-1-{[(1S,2S)-1-{[(1S)-1-カルボキシ-2-(1H-インドール-3-イル)エチル]カルバモイル}-2-メチルブチル]カルバモイル}-2-メチルブチル]カルバモイル}プロパン酸
  • (3S)-3-[(2S)-2-[(2S)-2-{[(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-amino-7-(4-aminobutyl)-39-benzyl-22-(carbamoylmethyl)-4-(2-carboxyethyl)-10-(carboxymethyl)-19,28-bis(hydroxymethyl)-42-[(4-hydroxyphenyl)methyl]-16-[(1H-indol-3-yl)methyl]-13-(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-45-(propan-2-yl)-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaazabicyclo[23.22.4]henpentacontan-36-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanamido]-3-{[(1S,2S)-1-{[(1S,2S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}propanoic acid
Other name (10)：
  • 血管作動性腸管収縮ペプチド
  • VIC
  • Vasoactive intestinal contractor
  • Endothelin 2【mouse】
  • 血管作動性腸管収縮因子
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CAS registry number： 138863-63-5
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