Chem
J-GLOBAL ID：200907063368772579   Nikkaji number：J294.892C

Chymostatin B

キモスタチンB
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： C30H39N7O6
Molecular formula furigana： C30-H39-N7-O6
Molecular weight： 593.685
InChI： InChI=1S/C30H39N7O6/c1-18(2)25(26(31)39)37(21(17-38)15-19-9-5-3-6-10-19)27(40)24(22-13-14-33-29(32)34-22)36-30(43)35-23(28(41)42)16-20-11-7-4-8-12-20/h3-12,17-18,21-25H,13-16H2,1-2H3,(H2,31,39)(H,41,42)(H3,32,33,34)(H2,35,36,43)/t21?,22?,23?,24-,25-/m0/s1
InChI key： AWFWQUFOBVMQGO-BOSQQAFTSA-N
SMILES： CC(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-Val-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)-1-カルバモイル-2-メチルプロピル](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)-1-carbamoyl-2-methylpropyl](1-oxo-3-phenylpropan-2-yl)carbamoyl})methyl]carbamoyl}amino)-3-phenylpropanoic acid
Other name (3)：
  • Chymostatin B
  • キモスタチンB
  • 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-Val-NH2
CAS registry number： 51759-77-4
Regulation number (1)：
  • EINECS2573834
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