Chem
J-GLOBAL ID:200907079618693231   Nikkaji number:J2.467.524F

N-[(3Z,5S)-5-[4-(Aminomethyl)benzoylamino]-6-phenyl-3-hexenoyl]-Leu-Arg-Trp-NH2

N-[(3Z,5S)-5-[4-(アミノメチル)ベンゾイルアミノ]-6-フェニル-3-ヘキセノイル]-Leu-Arg-Trp-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: C43H56N10O5
Molecular formula furigana: C43-H56-N10-O5
Molecular weight: 792.986
InChI: InChI=1S/C43H56N10O5/c1-27(2)22-37(51-38(54)16-8-12-32(23-28-10-4-3-5-11-28)50-40(56)30-19-17-29(25-44)18-20-30)42(58)52-35(15-9-21-48-43(46)47)41(57)53-36(39(45)55)24-31-26-49-34-14-7-6-13-33(31)34/h3-8,10-14,17-20,26-27,32,35-37,49H,9,15-16,21-25,44H2,1-2H3,(H2,45,55)(H,50,56)(H,51,54)(H,52,58)(H,53,57)(H4,46,47,48)/b12-8-/t32-,35+,36+,37+/m1/s1
InChI key: RYEYMGYDWYQXEG-QWRLMHDLSA-N
SMILES: CC(C)C[C@H](NC(=O)C/C=C\[C@H](Cc1ccccc1)NC(=O)c1ccc(CN)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N
Systematic name  (4):
  • N-[(3Z,5S)-5-[4-(アミノメチル)ベンゾイルアミノ]-6-フェニル-3-ヘキセノイル]-L-Leu-L-Arg-L-Trp-NH2
  • N-[(3Z,5S)-5-[4-(アミノメチル)ベンゾイルアミノ]-6-フェニル-3-ヘキセノイル]-Leu-Arg-Trp-NH2
  • (3Z,5S)-5-{[4-(アミノメチル)フェニル]ホルムアミド}-N-[(1S)-1-{[(1S)-4-カルバムイミドアミド-1-{[(1S)-1-カルバモイル-2-(1H-インドール-3-イル)エチル]カルバモイル}ブチル]カルバモイル}-3-メチルブチル]-6-フェニルヘキサ-3-エンアミド
  • (3Z,5S)-5-{[4-(aminomethyl)phenyl]formamido}-N-[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]-6-phenylhex-3-enamide
Other name (2):
  • N-[(3Z,5S)-5-[4-(Aminomethyl)benzoylamino]-6-phenyl-3-hexenoyl]-L-Leu-L-Arg-L-Trp-NH2
  • N-[(3Z,5S)-5-[4-(Aminomethyl)benzoylamino]-6-phenyl-3-hexenoyl]-Leu-Arg-Trp-NH2
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