Chem
J-GLOBAL ID：200907008030383843
Nikkaji number：J1.356.191E
Glu-Arg-Lys-Ile-Lys-Val-Tyr-Leu-OH
Glu-Arg-Lys-Ile-Lys-Val-Tyr-Leu-OH
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： C49H85N13O12
Molecular formula furigana： C49-H85-N13-O12
Molecular weight： 1048.298
InChI：
InChI=1S/C49H85N13O12/c1-7-29(6)40(62-44(69)33(13-8-10-22-50)57-42(67)35(15-12-24-55-49(53)54)56-41(66)32(52)20-21-38(64)65)47(72)58-34(14-9-11-23-51)43(68)61-39(28(4)5)46(71)59-36(26-30-16-18-31(63)19-17-30)45(70)60-37(48(73)74)25-27(2)3/h16-19,27-29,32-37,39-40,63H,7-15,20-26,50-52H2,1-6H3,(H,56,66)(H,57,67)(H,58,72)(H,59,71)(H,60,70)(H,61,68)(H,62,69)(H,64,65)(H,73,74)(H4,53,54,55)/t29-,32-,33-,34-,35-,36-,37-,39-,40-/m0/s1
InChI key：
PLEPWABBGFWKDG-INFIVNPESA-N
SMILES：
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O
Systematic name (3)：
- Glu-Arg-Lys-Ile-Lys-Val-Tyr-Leu-OH
- (2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S,3S)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-アミノ-4-カルボキシブタンアミド]-5-カルバムイミドアミドペンタンアミド]ヘキサンアミド]-3-メチルペンタンアミド]ヘキサンアミド]-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]-4-メチルペンタン酸
- (2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-5-carbamimidamidopentanamido]hexanamido]-3-methylpentanamido]hexanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanoic acid
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