Chem
J-GLOBAL ID:200907014401741411
Nikkaji number:J784.180I
L-Tyr-L-Lys-L-Val-L-Pro-L-Gln-L-Leu-OH
L-Tyr-L-Lys-L-Val-L-Pro-L-Gln-L-Leu-OH
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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:
C36 H58 N8 O9
Molecular formula furigana:
C36-H58-N8-O9
Molecular weight:
746.907
InChI:
InChI=1S/C36H58N8O9/c1-20(2)18-27(36(52)53)42-32(48)26(14-15-29(39)46)41-34(50)28-9-7-17-44(28)35(51)30(21(3)4)43-33(49)25(8-5-6-16-37)40-31(47)24(38)19-22-10-12-23(45)13-11-22/h10-13,20-21,24-28,30,45H,5-9,14-19,37-38H2,1-4H3,(H2,39,46)(H,40,47)(H,41,50)(H,42,48)(H,43,49)(H,52,53)/t24-,25-,26-,27-,28-,30-/m0/s1
InChI key:
JGZQEPWUJFWEFL-YUGXLDDKSA-N
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O
Systematic name (3):
L-Tyr-L-Lys-L-Val-L-Pro-L-Gln-L-Leu-OH
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-アミノ-3-(4-ヒドロキシフェニル)プロパンアミド]ヘキサンアミド]-3-メチルブタノイル]ピロリジン-2-イル]ホルムアミド}-4-カルバモイルブタンアミド]-4-メチルペンタン酸
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-4-methylpentanoic acid
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