Chem
J-GLOBAL ID：200907059867618184   Nikkaji number：J1.951.297E

Boc-L-Arg-L-Ile-L-Met-(4-Methylcoumarin-7-yl)NH2 ester

Boc-L-Arg-L-Ile-L-Met-(4-メチルクマリン-7-イル)NH2
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： C32H49N7O7S
Molecular formula furigana： C32-H49-N7-O7-S
Molecular weight： 675.850
InChI： InChI=1S/C32H49N7O7S/c1-8-18(2)26(39-28(42)22(10-9-14-35-30(33)34)38-31(44)46-32(4,5)6)29(43)37-23(13-15-47-7)27(41)36-20-11-12-21-19(3)16-25(40)45-24(21)17-20/h11-12,16-18,22-23,26H,8-10,13-15H2,1-7H3,(H,36,41)(H,37,43)(H,38,44)(H,39,42)(H4,33,34,35)/t18-,22-,23-,26-/m0/s1
InChI key： RXHZNJQQTVMJOH-NPZLAWLJSA-N
SMILES： CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)Nc1ccc2c(C)cc(=O)oc2c1
Systematic name  (3)：
  • Boc-L-Arg-L-Ile-L-Met-(4-メチルクマリン-7-イル)NH2
  • tert-ブチル N-[(1S)-4-カルバムイミドアミド-1-{[(1S,2S)-2-メチル-1-{[(1S)-1-[(4-メチル-2-オキソ-2H-クロメン-7-イル)カルバモイル]-3-(メチルスルファニル)プロピル]カルバモイル}ブチル]カルバモイル}ブチル]カルバマート
  • tert-butyl N-[(1S)-4-carbamimidamido-1-{[(1S,2S)-2-methyl-1-{[(1S)-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}butyl]carbamoyl}butyl]carbamate
Other name (1)：
  • Boc-L-Arg-L-Ile-L-Met-(4-Methylcoumarin-7-yl)NH2 ester
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