Chem
J-GLOBAL ID：200907007001470544   Nikkaji number：J1.578.234J

N-[[3,6-Dihydroxy-3′-oxo-5′-isothiocyanatospiro[9H-xanthene-9,1′(3′H)-isobenzofuran]-4′-yl]thiocarbamoyl]-L-valine

N-[[3,6-ジヒドロキシ-3′-オキソ-5′-イソチオシアナトスピロ[9H-キサンテン-9,1′(3′H)-イソベンゾフラン]-4′-イル]チオカルバモイル]-L-バリン
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： C27H21N3O7S2
Molecular formula furigana： C27-H21-N3-O7-S2
Molecular weight： 563.600
InChI： InChI=1S/C27H21N3O7S2/c1-12(2)22(24(33)34)29-26(39)30-23-18(28-11-38)8-7-17-21(23)25(35)37-27(17)15-5-3-13(31)9-19(15)36-20-10-14(32)4-6-16(20)27/h3-10,12,22,31-32H,1-2H3,(H,33,34)(H2,29,30,39)/t22-/m0/s1
InChI key： LFYWSNDBNWAZTF-QFIPXVFZSA-N
SMILES： CC(C)[C@H](NC(=S)Nc1c2C(=O)OC3(c2ccc1N=C=S)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)O
Systematic name  (3)：
  • N-[[3,6-ジヒドロキシ-3′-オキソ-5′-イソチオシアナトスピロ[9H-キサンテン-9,1′(3′H)-イソベンゾフラン]-4′-イル]チオカルバモイル]-L-バリン
  • (2S)-2-[({3',6'-ジヒドロキシ-5-イソチオシアナト-3-オキソ-3H-スピロ[2-ベンゾフラン-1,9'-キサンテン]-4-イル}カルバモチオイル)アミノ]-3-メチルブタン酸
  • (2S)-2-[({3',6'-dihydroxy-5-isothiocyanato-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-4-yl}carbamothioyl)amino]-3-methylbutanoic acid
Other name (1)：
  • N-[[3,6-Dihydroxy-3′-oxo-5′-isothiocyanatospiro[9H-xanthene-9,1′(3′H)-isobenzofuran]-4′-yl]thiocarbamoyl]-L-valine
Thsaurus map：
Thesaurus Map

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