Chem
J-GLOBAL ID：200907014339759295   Nikkaji number：J1.430.788E

4-Methyl-7-[N-(methylsulfonyl)-3-cyclohexyl-D-Ala-Gly-L-Arg-amino]-2H-1-benzopyran-2-one

4-メチル-7-[N-(メチルスルホニル)-3-シクロヘキシル-D-Ala-Gly-L-Arg-アミノ]-2H-1-ベンゾピラン-2-オン
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： C28H41N7O7S
Molecular formula furigana： C28-H41-N7-O7-S
Molecular weight： 619.740
InChI： InChI=1S/C28H41N7O7S/c1-17-13-25(37)42-23-15-19(10-11-20(17)23)33-27(39)21(9-6-12-31-28(29)30)34-24(36)16-32-26(38)22(35-43(2,40)41)14-18-7-4-3-5-8-18/h10-11,13,15,18,21-22,35H,3-9,12,14,16H2,1-2H3,(H,32,38)(H,33,39)(H,34,36)(H4,29,30,31)/t21-,22+/m0/s1
InChI key： BACOZRLXSUISOT-FCHUYYIVSA-N
SMILES： Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](CC3CCCCC3)NS(=O)(=O)C)ccc12
Systematic name  (3)：
  • 4-メチル-7-[N-(メチルスルホニル)-3-シクロヘキシル-D-Ala-Gly-L-Arg-アミノ]-2H-1-ベンゾピラン-2-オン
  • (2S)-5-カルバムイミドアミド-2-{2-[(2R)-3-シクロヘキシル-2-メタンスルホンアミドプロパンアミド]アセトアミド}-N-(4-メチル-2-オキソ-2H-クロメン-7-イル)ペンタンアミド
  • (2S)-5-carbamimidamido-2-{2-[(2R)-3-cyclohexyl-2-methanesulfonamidopropanamido]acetamido}-N-(4-methyl-2-oxo-2H-chromen-7-yl)pentanamide
Other name (1)：
  • 4-Methyl-7-[N-(methylsulfonyl)-3-cyclohexyl-D-Ala-Gly-L-Arg-amino]-2H-1-benzopyran-2-one
Thsaurus map：
Thesaurus Map

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