Chem
J-GLOBAL ID:200907014754119005
Nikkaji number:J440.728H
JMV-431
Boc-[Tyr11 ψ(CH2 NH)]ノイロテンシン(8-13)
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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:
C43 H74 N12 O9
Molecular formula furigana:
C43-H74-N12-O9
Molecular weight:
903.140
InChI:
InChI=1S/C43H74N12O9/c1-8-26(4)34(37(59)53-32(39(61)62)22-25(2)3)50-24-28(23-27-15-17-29(56)18-16-27)51-36(58)33-14-11-21-55(33)38(60)31(13-10-20-49-41(46)47)52-35(57)30(12-9-19-48-40(44)45)54-42(63)64-43(5,6)7/h15-18,25-26,28,30-34,50,56H,8-14,19-24H2,1-7H3,(H,51,58)(H,52,57)(H,53,59)(H,54,63)(H,61,62)(H4,44,45,48)(H4,46,47,49)/t26-,28-,30-,31-,32-,33-,34-/m0/s1
InChI key:
HVLRZNSDCCVRSL-XDOXFWIVSA-N
SMILES:
CC[C@H](C)[C@H](NC[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O
Systematic name (3):
Boc-L-Arg-L-Arg-L-Pro-L-Tyrψ(CH2 NH)-L-Ile-L-Leu-OH
(2S)-2-[(2S,3S)-2-{[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(tert-ブトキシ)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]-5-カルバムイミドアミドペンタノイル]ピロリジン-2-イル]ホルムアミド}-3-(4-ヒドロキシフェニル)プロピル]アミノ}-3-メチルペンタンアミド]-4-メチルペンタン酸
(2S)-2-[(2S,3S)-2-{[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propyl]amino}-3-methylpentanamido]-4-methylpentanoic acid
Other name (2):
Boc-[Tyr11 ψ(CH2 NH)]ノイロテンシン(8-13)
JMV-431
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