Chem
J-GLOBAL ID：200907013863345000
Nikkaji number：J1.184.483I
EHK16
L-His-L-Glu-L-His-L-Glu-L-His-L-Lys-L-His-L-Lys-L-His-L-Glu-L-His-L-Glu-L-His-L-Lys-L-His-L-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： C92H134N36O25
Molecular formula furigana： C92-H134-N36-O25
Molecular weight： 2144.311
InChI：
InChI=1S/C92H134N36O25/c93-21-5-1-9-58(116-86(146)67(27-51-35-100-43-108-51)126-82(142)62(14-18-74(131)132)119-89(149)70(30-54-38-103-46-111-54)125-81(141)61(13-17-73(129)130)114-77(137)57(97)25-49-33-98-41-106-49)78(138)122-66(26-50-34-99-42-107-50)85(145)115-59(10-2-6-22-94)79(139)123-69(29-53-37-102-45-110-53)88(148)118-64(16-20-76(135)136)84(144)128-71(31-55-39-104-47-112-55)90(150)120-63(15-19-75(133)134)83(143)127-68(28-52-36-101-44-109-52)87(147)117-60(11-3-7-23-95)80(140)124-72(32-56-40-105-48-113-56)91(151)121-65(92(152)153)12-4-8-24-96/h33-48,57-72H,1-32,93-97H2,(H,98,106)(H,99,107)(H,100,108)(H,101,109)(H,102,110)(H,103,111)(H,104,112)(H,105,113)(H,114,137)(H,115,145)(H,116,146)(H,117,147)(H,118,148)(H,119,149)(H,120,150)(H,121,151)(H,122,138)(H,123,139)(H,124,140)(H,125,141)(H,126,142)(H,127,143)(H,128,144)(H,129,130)(H,131,132)(H,133,134)(H,135,136)(H,152,153)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1
InChI key：
YDCIHKCGXJWEQA-BDSAKWMOSA-N
SMILES：
NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O
Systematic name (3)：
- L-His-L-Glu-L-His-L-Glu-L-His-L-Lys-L-His-L-Lys-L-His-L-Glu-L-His-L-Glu-L-His-L-Lys-L-His-L-Lys-OH
- (2S)-6-アミノ-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-3-(1H-イミダゾール-4-イル)プロパンアミド]-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]-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]ヘキサンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]ヘキサンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]-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]-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]ヘキサンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]ヘキサン酸
- (2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carboxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carboxybutanamido]-3-(1H-imidazol-4-yl)propanamido]hexanamido]-3-(1H-imidazol-4-yl)propanamido]hexanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carboxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carboxybutanamido]-3-(1H-imidazol-4-yl)propanamido]hexanamido]-3-(1H-imidazol-4-yl)propanamido]hexanoic acid
- EHK16
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