Chem
J-GLOBAL ID:200907000394586382   Nikkaji number:J721.130I

[Des-Asp1,D-Ile5]angiotensin I

[デスAsp1,D-Ile5]アンギオテンシンI
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: C58H84N16O11
Molecular formula furigana: C58-H84-N16-O11
Molecular weight: 1181.411
InChI: InChI=1S/C58H84N16O11/c1-7-34(6)48(73-52(79)42(25-36-17-19-39(75)20-18-36)69-54(81)47(33(4)5)72-49(76)40(59)15-11-21-64-58(60)61)55(82)70-44(27-38-29-63-31-66-38)56(83)74-22-12-16-46(74)53(80)68-41(24-35-13-9-8-10-14-35)50(77)67-43(26-37-28-62-30-65-37)51(78)71-45(57(84)85)23-32(2)3/h8-10,13-14,17-20,28-34,40-48,75H,7,11-12,15-16,21-27,59H2,1-6H3,(H,62,65)(H,63,66)(H,67,77)(H,68,80)(H,69,81)(H,70,82)(H,71,78)(H,72,76)(H,73,79)(H,84,85)(H4,60,61,64)/t34-,40+,41+,42+,43+,44+,45+,46+,47+,48-/m1/s1
InChI key: SKWIUWNFCDCCDM-IRJSIWSUSA-N
SMILES: CC[C@@H](C)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)O
Systematic name  (3):
  • L-Arg-L-Val-L-Tyr-D-Ile-L-His-L-Pro-L-Phe-L-His-L-Leu-OH
  • (2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2R,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-5-カルバムイミドアミドペンタンアミド]-3-メチルブタンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]-3-メチルペンタンアミド]-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-フェニルプロパンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]-4-メチルペンタン酸
  • (2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2R,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanoic acid
Other name (3):
  • [デスAsp1,D-Ile5]アンギオテンシンI
  • [Des-Asp1,D-Ile5]angiotensin I
  • [デスAsp1,D-Ile5]アンジオテンシンI
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