Chem
J-GLOBAL ID：200907016242837111
Nikkaji number：J2.188.245C
Glu-Ile-Gly-Glu-Leu-Tyr-Leu-Pro-Lys-OH
Glu-Ile-Gly-Glu-Leu-Tyr-Leu-Pro-Lys-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： C50H80N10O15
Molecular formula furigana： C50-H80-N10-O15
Molecular weight： 1061.245
InChI：
InChI=1S/C50H80N10O15/c1-7-29(6)42(59-43(67)32(52)17-19-40(63)64)48(72)53-26-39(62)54-33(18-20-41(65)66)44(68)56-35(23-27(2)3)45(69)57-36(25-30-13-15-31(61)16-14-30)46(70)58-37(24-28(4)5)49(73)60-22-10-12-38(60)47(71)55-34(50(74)75)11-8-9-21-51/h13-16,27-29,32-38,42,61H,7-12,17-26,51-52H2,1-6H3,(H,53,72)(H,54,62)(H,55,71)(H,56,68)(H,57,69)(H,58,70)(H,59,67)(H,63,64)(H,65,66)(H,74,75)/t29-,32-,33-,34-,35-,36-,37-,38-,42-/m0/s1
InChI key：
ROMFJIWUSCWEMK-UMONIOLISA-N
SMILES：
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O
Systematic name (3)：
- Glu-Ile-Gly-Glu-Leu-Tyr-Leu-Pro-Lys-OH
- (2S)-6-アミノ-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S)-2-アミノ-4-カルボキシブタンアミド]-3-メチルペンタンアミド]アセトアミド}-4-カルボキシブタンアミド]-4-メチルペンタンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]-4-メチルペンタノイル]ピロリジン-2-イル]ホルムアミド}ヘキサン酸
- (2S)-6-amino-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-methylpentanamido]acetamido}-4-carboxybutanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}hexanoic acid
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