Chem
J-GLOBAL ID：200907078676581943   Nikkaji number：J294.893A

Chymostatin C

キモスタチンC
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： C31H41N7O6
Molecular formula furigana： C31-H41-N7-O6
Molecular weight： 607.712
InChI： InChI=1S/C31H41N7O6/c1-3-19(2)26(27(32)40)38(22(18-39)16-20-10-6-4-7-11-20)28(41)25(23-14-15-34-30(33)35-23)37-31(44)36-24(29(42)43)17-21-12-8-5-9-13-21/h4-13,18-19,22-26H,3,14-17H2,1-2H3,(H2,32,40)(H,42,43)(H3,33,34,35)(H2,36,37,44)/t19-,22?,23?,24?,25-,26-/m0/s1
InChI key： REBWTUBJBZYKDM-AVFIQKSOSA-N
SMILES： CC[C@H](C)[C@H](N(C(Cc1ccccc1)C=O)C(=O)[C@@H](NC(=O)NC(Cc1ccccc1)C(=O)O)C1CCNC(=N1)N)C(=O)N
Systematic name  (3)：
  • 2-[(2-アミノ-1,4,5,6-テトラヒドロピリミジン)-4-イル]-N-[[(1-カルボキシ-2-フェニルエチル)アミノ]カルボニル]-L-Gly-N-(1-ホルミル-2-フェニルエチル)-L-Ile-NH2
  • 2-({[(S)-(2-アミノ-1,4,5,6-テトラヒドロピリミジン-4-イル)({[(1S,2S)-1-カルバモイル-2-メチルブチル](1-オキソ-3-フェニルプロパン-2-イル)カルバモイル})メチル]カルバモイル}アミノ)-3-フェニルプロパン酸
  • 2-({[(S)-(2-amino-1,4,5,6-tetrahydropyrimidin-4-yl)({[(1S,2S)-1-carbamoyl-2-methylbutyl](1-oxo-3-phenylpropan-2-yl)carbamoyl})methyl]carbamoyl}amino)-3-phenylpropanoic acid
Other name (3)：
  • Chymostatin C
  • キモスタチンC
  • 2-[(2-Amino-1,4,5,6-tetrahydropyrimidin)-4-yl]-N-[[(1-carboxy-2-phenylethyl)amino]carbonyl]-L-Gly-N-(1-formyl-2-phenylethyl)-L-Ile-NH2
CAS registry number： 51759-78-5
Regulation number (1)：
  • EINECS2573855
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