Chem
J-GLOBAL ID:200907070263089659
Nikkaji number:J410.188J
[Sar1 ,Ala8 ]angiotensin II
[Sar1 ,Ala8 ]アンギオテンシンII
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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:
C40 H58 N13 O10
Molecular formula furigana:
C40-H58-N13-O10
Molecular weight:
880.985
InChI:
InChI=1S/C40H58N13O10/c1-21(2)32(52-34(57)27(49-31(55)19-43-5)8-6-14-45-40(41)42)37(60)50-28(16-24-10-12-26(54)13-11-24)35(58)47-22(3)33(56)51-29(17-25-18-44-20-46-25)38(61)53-15-7-9-30(53)36(59)48-23(4)39(62)63/h10-13,18,20-23,27-30,32,43,54H,6-9,14-17,19H2,1-2,4-5H3,(H,44,46)(H,47,58)(H,48,59)(H,49,55)(H,50,60)(H,51,56)(H,52,57)(H,62,63)(H4,41,42,45)/t22?,23-,27-,28-,29-,30-,32-/m0/s1
InChI key:
ZIPPGDLYQKPILK-GIAHQOQBSA-N
SMILES:
[C]C(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O
Systematic name (3):
Sar-L-Arg-L-Val-L-Tyr-Xaa-L-His-L-Pro-L-Ala-OH
2-[(2S)-2-[(2S)-2-[(2S)-5-カルバムイミドアミド-2-[2-(メチルアミノ)アセトアミド]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]-2-{[(2S)-1-[(2S)-2-{[(1S)-1-カルボキシエチル]カルバモイル}ピロリジン-1-イル]-3-(1H-イミダゾール-4-イル)-1-オキソプロパン-2-イル]カルバモイル}エチリジン
2-[(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[2-(methylamino)acetamido]pentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-2-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl}ethylidyne
Other name (3):
[Sar1 ,Ala8 ]アンギオテンシンII
[Sar1 ,Ala8 ]angiotensin II
[Sar1 ,Ala8 ]アンジオテンシンII
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