Chem
J-GLOBAL ID：200907060476639630
Nikkaji number：J2.346.667H
L-Cys-L-Cys-[[(3S)-2-(Hydroxymethyl)-2,5-dihydroxytetrahydrofuran-3β-yl]oxy]-Gly-L-Thr-Gly-Gly-L-Ala-L-Thr-L-Ala-L-Ala-L-Cys-L-Ala-OH
L-Cys-L-Cys-[[(3S)-2-(ヒドロキシ*メチル)-2,5-ジヒドロキシテトラヒドロフラン-3β-イル]オキシ]-Gly-L-Thr-Gly-Gly-L-Ala-L-Thr-L-Ala-L-Ala-L-Cys-L-Ala-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： C40H68N12O20S3
Molecular formula furigana： C40-H68-N12-O20-S3
Molecular weight： 1133.230
InChI：
InChI=1S/C40H68N12O20S3/c1-15(33(61)52-30(20(6)54)37(65)47-16(2)31(59)46-17(3)32(60)49-22(12-74)35(63)48-18(4)38(66)67)45-26(56)9-42-25(55)8-43-36(64)29(19(5)53)51-27(57)10-44-72-24-7-28(58)71-40(24,69)14-70-39(68)23(13-75)50-34(62)21(41)11-73/h15-24,28-30,44,53-54,58,69,73-75H,7-14,41H2,1-6H3,(H,42,55)(H,43,64)(H,45,56)(H,46,59)(H,47,65)(H,48,63)(H,49,60)(H,50,62)(H,51,57)(H,52,61)(H,66,67)/t15-,16-,17-,18-,19+,20+,21-,22-,23-,24-,28?,29-,30-,40?/m0/s1
InChI key：
XIVAIOHONHIPCH-GMIWMUNTSA-N
SMILES：
C[C@@H](O)[C@H](NC(=O)CNO[C@H]1CC(O)OC1(O)COC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)O
Systematic name (3)：
- L-Cys-L-Cys-[[(3S)-2-(ヒドロキシ*メチル)-2,5-ジヒドロキシテトラヒドロフラン-3β-イル]オキシ]-Gly-L-Thr-Gly-Gly-L-Ala-L-Thr-L-Ala-L-Ala-L-Cys-L-Ala-OH
- (2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-(2-{2-[(2S,3R)-2-[2-({[(3S)-2-({[(2R)-2-[(2R)-2-アミノ-3-スルファニルプロパンアミド]-3-スルファニルプロパノイル]オキシ}メチル)-2,5-ジヒドロキシオキソラン-3-イル]オキシ}アミノ)アセトアミド]-3-ヒドロキシブタンアミド]アセトアミド}アセトアミド)プロパンアミド]-3-ヒドロキシブタンアミド]プロパンアミド]プロパンアミド]-3-スルファニルプロパンアミド]プロパン酸
- (2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-(2-{2-[(2S,3R)-2-[2-({[(3S)-2-({[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanoyl]oxy}methyl)-2,5-dihydroxyoxolan-3-yl]oxy}amino)acetamido]-3-hydroxybutanamido]acetamido}acetamido)propanamido]-3-hydroxybutanamido]propanamido]propanamido]-3-sulfanylpropanamido]propanoic acid
- L-Cys-L-Cys-[[(3S)-2-(Hydroxymethyl)-2,5-dihydroxytetrahydrofuran-3β-yl]oxy]-Gly-L-Thr-Gly-Gly-L-Ala-L-Thr-L-Ala-L-Ala-L-Cys-L-Ala-OH
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