Chem
J-GLOBAL ID:200907061511733285
Nikkaji number:J784.175B
Lys-Val-Leu-Pro-Val-Pro-Gln-OH
Lys-Val-Leu-Pro-Val-Pro-Gln-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:
C37 H65 N9 O9
Molecular formula furigana:
C37-H65-N9-O9
Molecular weight:
779.981
InChI:
InChI=1S/C37H65N9O9/c1-20(2)19-25(42-34(51)29(21(3)4)43-31(48)23(39)11-7-8-16-38)35(52)45-17-9-13-27(45)33(50)44-30(22(5)6)36(53)46-18-10-12-26(46)32(49)41-24(37(54)55)14-15-28(40)47/h20-27,29-30H,7-19,38-39H2,1-6H3,(H2,40,47)(H,41,49)(H,42,51)(H,43,48)(H,44,50)(H,54,55)/t23-,24-,25-,26-,27-,29-,30-/m0/s1
InChI key:
HJYMFKIKNPNGPA-YYLRFZLMSA-N
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)O
Systematic name (4):
L-Lys-L-Val-L-Leu-L-Pro-L-Val-L-Pro-L-Gln-OH
Lys-Val-Leu-Pro-Val-Pro-Gln-OH
(2S)-4-カルバモイル-2-{[(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2,6-ジアミノヘキサンアミド]-3-メチルブタンアミド]-4-メチルペンタノイル]ピロリジン-2-イル]ホルムアミド}-3-メチルブタノイル]ピロリジン-2-イル]ホルムアミド}ブタン酸
(2S)-4-carbamoyl-2-{[(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-methylbutanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanoyl]pyrrolidin-2-yl]formamido}butanoic acid
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