Chem
J-GLOBAL ID：200907064696953218
Nikkaji number：J2.704.578B
Arg-Ile-Lys-Ile-Gly-Leu-Phe-Asp-Gln-Leu-Ser-D-Arg-Leu-NH2
Arg-Ile-Lys-Ile-Gly-Leu-Phe-Asp-Gln-Leu-Ser-D-Arg-Leu-NH2
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
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
Molecular formula： C71H124N22O17
Molecular formula furigana： C71-H124-N22-O17
Molecular weight： 1557.910
InChI：
InChI=1S/C71H124N22O17/c1-11-40(9)56(93-62(103)44(23-16-17-27-72)86-69(110)57(41(10)12-2)92-59(100)43(73)22-18-28-80-70(76)77)68(109)82-35-54(96)83-48(31-38(5)6)63(104)89-50(33-42-20-14-13-15-21-42)65(106)90-51(34-55(97)98)66(107)85-46(25-26-53(74)95)61(102)88-49(32-39(7)8)64(105)91-52(36-94)67(108)84-45(24-19-29-81-71(78)79)60(101)87-47(58(75)99)30-37(3)4/h13-15,20-21,37-41,43-52,56-57,94H,11-12,16-19,22-36,72-73H2,1-10H3,(H2,74,95)(H2,75,99)(H,82,109)(H,83,96)(H,84,108)(H,85,107)(H,86,110)(H,87,101)(H,88,102)(H,89,104)(H,90,106)(H,91,105)(H,92,100)(H,93,103)(H,97,98)(H4,76,77,80)(H4,78,79,81)/t40-,41-,43-,44-,45+,46-,47-,48-,49-,50-,51-,52-,56-,57-/m0/s1
InChI key：
YBOJYGJMKPMNRC-CRXALAIUSA-N
SMILES：
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N
Systematic name (3)：
- Arg-Ile-Lys-Ile-Gly-Leu-Phe-Asp-Gln-Leu-Ser-D-Arg-Leu-NH2
- (3S)-3-[(2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S)-6-アミノ-2-[(2S,3S)-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-メチルペンタンアミド]ヘキサンアミド]-3-メチルペンタンアミド]アセトアミド}-4-メチルペンタンアミド]-3-フェニルプロパンアミド]-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1R)-4-カルバムイミドアミド-1-{[(1S)-1-カルバモイル-3-メチルブチル]カルバモイル}ブチル]カルバモイル}-2-ヒドロキシエチル]カルバモイル}-3-メチルブチル]カルバモイル}-3-カルバモイルプロピル]カルバモイル}プロパン酸
- (3S)-3-[(2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylpentanamido]hexanamido]-3-methylpentanamido]acetamido}-4-methylpentanamido]-3-phenylpropanamido]-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1R)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}butyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}propanoic acid
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