Chem
J-GLOBAL ID：200907021542024477   Nikkaji number：J762.503K

2-[Nα-[1-(N-Methyl-D-phenylalanyl)-L-prolyl]-L-arginyl]benzo[b]thiophene

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[b]チオフェン
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： C29H36N6O3S
Molecular formula furigana： C29-H36-N6-O3-S
Molecular weight： 548.710
InChI： InChI=1S/C29H36N6O3S/c1-32-22(17-19-9-3-2-4-10-19)28(38)35-16-8-13-23(35)27(37)34-21(12-7-15-33-29(30)31)26(36)25-18-20-11-5-6-14-24(20)39-25/h2-6,9-11,14,18,21-23,32H,7-8,12-13,15-17H2,1H3,(H,34,37)(H4,30,31,33)/t21-,22+,23-/m0/s1
InChI key： KVEKZKVOVRZPMP-ZRBLBEILSA-N
SMILES： CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1cc2ccccc2s1
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[b]チオフェン
  • (2S)-N-[(2S)-1-(1-ベンゾチオフェン-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-benzothiophen-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]benzo[b]thiophene
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