Chem
J-GLOBAL ID：200907023225955522
Nikkaji number：J2.188.255K
Tyr-Val-Gly-Gly-Gln-Glu-His-Phe-Ala-His-Leu-Leu-Ile-Leu-Arg-OH
Tyr-Val-Gly-Gly-Gln-Glu-His-Phe-Ala-His-Leu-Leu-Ile-Leu-Arg-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： C82H125N23O20
Molecular formula furigana： C82-H125-N23-O20
Molecular weight： 1753.043
InChI：
InChI=1S/C82H125N23O20/c1-12-46(10)68(80(123)103-58(30-43(4)5)74(117)97-56(81(124)125)19-16-28-89-82(85)86)105-78(121)59(31-44(6)7)100-75(118)57(29-42(2)3)99-76(119)61(34-50-36-87-40-92-50)98-69(112)47(11)94-73(116)60(33-48-17-14-13-15-18-48)101-77(120)62(35-51-37-88-41-93-51)102-72(115)55(25-27-66(110)111)96-71(114)54(24-26-63(84)107)95-65(109)39-90-64(108)38-91-79(122)67(45(8)9)104-70(113)53(83)32-49-20-22-52(106)23-21-49/h13-15,17-18,20-23,36-37,40-47,53-62,67-68,106H,12,16,19,24-35,38-39,83H2,1-11H3,(H2,84,107)(H,87,92)(H,88,93)(H,90,108)(H,91,122)(H,94,116)(H,95,109)(H,96,114)(H,97,117)(H,98,112)(H,99,119)(H,100,118)(H,101,120)(H,102,115)(H,103,123)(H,104,113)(H,105,121)(H,110,111)(H,124,125)(H4,85,86,89)/t46-,47-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-/m0/s1
InChI key：
DWZXDTOHBJZADE-IAXZXSJFSA-N
SMILES：
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Systematic name (3)：
- Tyr-Val-Gly-Gly-Gln-Glu-His-Phe-Ala-His-Leu-Leu-Ile-Leu-Arg-OH
- (2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-アミノ-3-(4-ヒドロキシフェニル)プロパンアミド]-3-メチルブタンアミド]アセトアミド}アセトアミド)-4-カルバモイルブタンアミド]-4-カルボキシブタンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]-3-フェニルプロパンアミド]プロパンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]-4-メチルペンタンアミド]-4-メチルペンタンアミド]-3-メチルペンタンアミド]-4-メチルペンタンアミド]-5-カルバムイミドアミドペンタン酸
- (2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]acetamido}acetamido)-4-carbamoylbutanamido]-4-carboxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanamido]-4-methylpentanamido]-3-methylpentanamido]-4-methylpentanamido]-5-carbamimidamidopentanoic acid
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