Chem
J-GLOBAL ID：200907044174438622   Nikkaji number：J762.504I

2-[Nα-[1-(N-Methyl-D-phenylalanyl)-L-prolyl]-L-arginyl]benzoxazole

2-[Nα-[1-(N-メチル-D-フェニルアラニル)-L-プロリル]-L-アルギニル]ベンゾオキサゾール
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： C28H35N7O4
Molecular formula furigana： C28-H35-N7-O4
Molecular weight： 533.633
InChI： InChI=1S/C28H35N7O4/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h2-6,9-11,14,20-22,31H,7-8,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20-,21+,22-/m0/s1
InChI key： DSRYOPYBUYZKDD-BDTNDASRSA-N
SMILES： CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2o1
Systematic name  (3)：
  • 2-[Nα-[1-(N-メチル-D-フェニルアラニル)-L-プロリル]-L-アルギニル]ベンゾオキサゾール
  • (2S)-N-[(2S)-1-(1,3-ベンゾオキサゾール-2-イル)-5-カルバムイミドアミド-1-オキソペンタン-2-イル]-1-[(2R)-2-(メチルアミノ)-3-フェニルプロパノイル]ピロリジン-2-カルボキサミド
  • (2S)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
Other name (1)：
  • 2-[Nα-[1-(N-Methyl-D-phenylalanyl)-L-prolyl]-L-arginyl]benzoxazole
Thsaurus map：
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