Chem
J-GLOBAL ID:200907044455558155
Nikkaji number:J685.370F
GnRH【サケ】
GnRH【サケ】
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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:
C60 H73 N15 O13
Molecular formula furigana:
C60-H73-N15-O13
Molecular weight:
1212.336
InChI:
InChI=1S/C60H73N15O13/c1-32(2)20-47(60(88)75-19-7-12-49(75)59(87)65-28-50(61)78)73-55(83)44(22-34-25-63-40-10-5-3-8-38(34)40)69-52(80)29-66-53(81)43(21-33-13-15-37(77)16-14-33)70-58(86)48(30-76)74-56(84)45(23-35-26-64-41-11-6-4-9-39(35)41)71-57(85)46(24-36-27-62-31-67-36)72-54(82)42-17-18-51(79)68-42/h3-6,8-11,13-16,25-27,31-32,42-49,63-64,76-77H,7,12,17-24,28-30H2,1-2H3,(H2,61,78)(H,62,67)(H,65,87)(H,66,81)(H,68,79)(H,69,80)(H,70,86)(H,71,85)(H,72,82)(H,73,83)(H,74,84)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
InChI key:
NMJREATYWWNIKX-XJIZABAQSA-N
SMILES:
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N
Systematic name (3):
pGlu-L-His-L-Trp-L-Ser-L-Tyr-Gly-L-Trp-L-Leu-L-Pro-Gly-NH2
(2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(2S)-1-[(2S)-2-[(カルバモイルメチル)カルバモイル]ピロリジン-1-イル]-4-メチル-1-オキソペンタン-2-イル]カルバモイル}-2-(1H-インドール-3-イル)エチル]カルバモイル}メチル)カルバモイル]-2-(4-ヒドロキシフェニル)エチル]カルバモイル}-2-ヒドロキシエチル]カルバモイル}-2-(1H-インドール-3-イル)エチル]-3-(1H-イミダゾール-4-イル)-2-{[(2S)-5-オキソピロリジン-2-イル]ホルムアミド}プロパンアミド
(2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(2S)-1-[(2S)-2-[(carbamoylmethyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamide
Other name (1):
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