Chem
J-GLOBAL ID：200907042987297101   Nikkaji number：J343.934H

CGP-42112A

CGP-42112A
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： C52H69N13O11
Molecular formula furigana： C52-H69-N13-O11
Molecular weight： 1052.204
InChI： InChI=1S/C52H69N13O11/c1-3-32(2)43(50(73)74)64-48(71)42-17-11-25-65(42)49(72)41(27-36-29-56-31-59-36)62-46(69)39(60-47(70)40(26-33-18-20-37(66)21-19-33)61-44(67)35-14-9-22-55-28-35)15-7-8-23-57-45(68)38(16-10-24-58-51(53)54)63-52(75)76-30-34-12-5-4-6-13-34/h4-6,9,12-14,18-22,28-29,31-32,38-43,66H,3,7-8,10-11,15-17,23-27,30H2,1-2H3,(H,56,59)(H,57,68)(H,60,70)(H,61,67)(H,62,69)(H,63,75)(H,64,71)(H,73,74)(H4,53,54,58)/t32-,38-,39-,40-,41-,42-,43-/m0/s1
InChI key： UXGNARZDONUMMK-LRMQDCNJSA-N
SMILES： CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccnc1)C(=O)O
Systematic name  (4)：
  • (3-ピリジルカルボニル)-L-Tyr-N6-(Cbz-L-Arg-)-L-Lys-L-His-L-Pro-L-Ile-OH
  • N6-[[(フェニルメトキシ)カルボニル]-L-Arg-]-N2-[[(ピリジン-3-イル)カルボニル]-L-Tyr-]-L-Lys-L-His-L-Pro-L-Ile-OH
  • (2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-6-[(2S)-2-{[(ベンジルオキシ)カルボニル]アミノ}-5-カルバムイミドアミドペンタンアミド]-2-[(2S)-3-(4-ヒドロキシフェニル)-2-[(ピリジン-3-イル)ホルムアミド]プロパンアミド]ヘキサンアミド]-3-(1H-イミダゾール-4-イル)プロパノイル]ピロリジン-2-イル]ホルムアミド}-3-メチルペンタン酸
  • (2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-6-[(2S)-2-{[(benzyloxy)carbonyl]amino}-5-carbamimidamidopentanamido]-2-[(2S)-3-(4-hydroxyphenyl)-2-[(pyridin-3-yl)formamido]propanamido]hexanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid
Other name (3)：
  • CGP-42112A
  • N6-[[(Phenylmethoxy)carbonyl]-L-Arg-]-N2-[[(pyridin-3-yl)carbonyl]-L-Tyr-]-L-Lys-L-His-L-Pro-L-Ile-OH
  • CGP-42112
CAS registry number： 127060-75-7
Application (2)：
angiotensin antagonist ,  hypotensive drug
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