Chem
J-GLOBAL ID：200907019329529064
Nikkaji number：J2.295.642F
L-Ser-L-Cys-L-His-L-Leu-L-Pro-L-Trp-L-Ala-L-Ser-Gly-L-Leu-L-Glu-L-Thr-L-Leu-L-Asp-L-Ser-OH
L-Ser-L-Cys-L-His-L-Leu-L-Pro-L-Trp-L-Ala-L-Ser-Gly-L-Leu-L-Glu-L-Thr-L-Leu-L-Asp-L-Ser-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： C70H106N18O24S
Molecular formula furigana： C70-H106-N18-O24-S
Molecular weight： 1615.780
InChI：
InChI=1S/C70H106N18O24S/c1-32(2)18-43(62(103)78-42(15-16-54(94)95)60(101)87-56(36(8)92)68(109)82-44(19-33(3)4)63(104)80-47(23-55(96)97)65(106)85-50(29-91)70(111)112)77-53(93)26-74-59(100)49(28-90)84-57(98)35(7)76-61(102)45(21-37-24-73-41-13-10-9-12-39(37)41)81-67(108)52-14-11-17-88(52)69(110)48(20-34(5)6)83-64(105)46(22-38-25-72-31-75-38)79-66(107)51(30-113)86-58(99)40(71)27-89/h9-10,12-13,24-25,31-36,40,42-52,56,73,89-92,113H,11,14-23,26-30,71H2,1-8H3,(H,72,75)(H,74,100)(H,76,102)(H,77,93)(H,78,103)(H,79,107)(H,80,104)(H,81,108)(H,82,109)(H,83,105)(H,84,98)(H,85,106)(H,86,99)(H,87,101)(H,94,95)(H,96,97)(H,111,112)/t35-,36+,40-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-/m0/s1
InChI key：
YUWVNLMTEGHKIG-OPDXBULCSA-N
SMILES：
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O
Systematic name (3)：
- L-Ser-L-Cys-L-His-L-Leu-L-Pro-L-Trp-L-Ala-L-Ser-Gly-L-Leu-L-Glu-L-Thr-L-Leu-L-Asp-L-Ser-OH
- (4S)-4-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-アミノ-3-ヒドロキシプロパンアミド]-3-スルファニルプロパンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]-4-メチルペンタノイル]ピロリジン-2-イル]ホルムアミド}-3-(1H-インドール-3-イル)プロパンアミド]プロパンアミド]-3-ヒドロキシプロパンアミド]アセトアミド}-4-メチルペンタンアミド]-4-{[(1S,2R)-1-{[(1S)-1-{[(1S)-2-カルボキシ-1-{[(1S)-1-カルボキシ-2-ヒドロキシエチル]カルバモイル}エチル]カルバモイル}-3-メチルブチル]カルバモイル}-2-ヒドロキシプロピル]カルバモイル}ブタン酸
- (4S)-4-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]propanamido]-3-hydroxypropanamido]acetamido}-4-methylpentanamido]-4-{[(1S,2R)-1-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid
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