Chem
J-GLOBAL ID:200907014236594450
Nikkaji number:J350.864A
Met-Lys-Bradykinin
Met-Lys-ブラジキニン
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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:
C61 H94 N18 O13 S
Molecular formula furigana:
C61-H94-N18-O13-S
Molecular weight:
1319.600
InChI:
InChI=1S/C61H94N18O13S/c1-93-32-25-39(63)50(82)72-40(19-8-9-26-62)51(83)73-41(20-10-27-68-60(64)65)56(88)79-31-14-24-48(79)58(90)78-30-12-22-46(78)54(86)70-35-49(81)71-43(33-37-15-4-2-5-16-37)52(84)76-45(36-80)57(89)77-29-13-23-47(77)55(87)75-44(34-38-17-6-3-7-18-38)53(85)74-42(59(91)92)21-11-28-69-61(66)67/h2-7,15-18,39-48,80H,8-14,19-36,62-63H2,1H3,(H,70,86)(H,71,81)(H,72,82)(H,73,83)(H,74,85)(H,75,87)(H,76,84)(H,91,92)(H4,64,65,68)(H4,66,67,69)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
InChI key:
SSXPFNXUSFJJEI-BHEJXMHWSA-N
SMILES:
CSCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Systematic name (4):
L-Met-L-Lys-L-Arg-L-Pro-L-Pro-Gly-L-Phe-L-Ser-L-Pro-L-Phe-L-Arg-OH
Met-Lys-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-アミノ-4-(メチルスルファニル)ブタンアミド]ヘキサンアミド]-5-カルバムイミドアミドペンタノイル]ピロリジン-2-カルボニル]ピロリジン-2-イル]ホルムアミド}アセトアミド)-3-フェニルプロパンアミド]-3-ヒドロキシプロパノイル]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]-5-カルバムイミドアミドペンタン酸
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]hexanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}acetamido)-3-phenylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-5-carbamimidamidopentanoic acid
Other name (2):
Met-Lys-ブラジキニン
Met-Lys-Bradykinin
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