Chem
J-GLOBAL ID:200907014947369920   Nikkaji number:J546.867A

GR-71251

GR-71251
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: C74H105N19O13
Molecular formula furigana: C74-H105-N19-O13
Molecular weight: 1468.774
InChI: InChI=1S/C74H105N19O13/c1-44(2)39-59(68(102)87-54(62(79)96)42-47-43-83-50-23-10-9-21-48(47)50)92-38-32-74(72(92)106)31-16-37-93(74)71(105)56(41-46-19-7-4-8-20-46)89-65(99)55(40-45-17-5-3-6-18-45)88-64(98)51(27-29-60(77)94)84-63(97)52(28-30-61(78)95)85-66(100)58-26-15-36-91(58)70(104)53(24-11-12-33-75)86-67(101)57-25-14-35-90(57)69(103)49(76)22-13-34-82-73(80)81/h3-10,17-21,23,43-44,49,51-59,83H,11-16,22,24-42,75-76H2,1-2H3,(H2,77,94)(H2,78,95)(H2,79,96)(H,84,97)(H,85,100)(H,86,101)(H,87,102)(H,88,98)(H,89,99)(H4,80,81,82)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,74-/m0/s1
InChI key: HUFYSTDJMGIFCD-ZUJDVMCGSA-N
SMILES: CC(C)C[C@H](N1CC[C@@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCNC(=N)N)C1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N
Systematic name  (4):
  • (5S)-6-(L-Arg-L-Pro-L-Lys-L-Pro-L-Gln-L-Gln-L-Phe-L-Phe-)-2-[(S)-1-[[(S)-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]-3-メチルブチル]-2,6-ジアザスピロ[4.4]ノナン-1-オン
  • Nα-[(2S)-4-メチル-2-[(5S)-1-[N-[N-[N2-[N2-[N-[N2-(N-L-アルギニル-L-プロリル)-L-リシル]-L-プロリル]-L-グルタミニル]-L-グルタミニル]-L-フェニルアラニル]-L-フェニルアラニル]-6-オキソ-1,7-ジアザスピロ[4.4]ノナン-7-イル]ペンタノイル]-L-トリプトファンアミド
  • (2S)-2-{[(2S)-1-[(2S)-6-アミノ-2-{[(2S)-1-[(2S)-2-アミノ-5-カルバムイミドアミドペンタノイル]ピロリジン-2-イル]ホルムアミド}ヘキサノイル]ピロリジン-2-イル]ホルムアミド}-N-[(1S)-3-カルバモイル-1-{[(1S)-1-{[(2S)-1-[(5S)-7-[(1S)-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}-3-メチルブチル]-6-オキソ-1,7-ジアザスピロ[4.4]ノナン-1-イル]-1-オキソ-3-フェニルプロパン-2-イル]カルバモイル}-2-フェニルエチル]カルバモイル}プロピル]ペンタンジアミド
  • (2S)-2-{[(2S)-1-[(2S)-6-amino-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}hexanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-3-carbamoyl-1-{[(1S)-1-{[(2S)-1-[(5S)-7-[(1S)-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-methylbutyl]-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl}-2-phenylethyl]carbamoyl}propyl]pentanediamide
Other name (3):
  • GR-71251
  • Nα-[(2S)-4-Methyl-2-[(5S)-1-[N-[N-[N2-[N2-[N-[N2-(N-L-arginyl-L-prolyl)-L-lysyl]-L-prolyl]-L-glutaminyl]-L-glutaminyl]-L-phenylalanyl]-L-phenylalanyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanoyl]-L-tryptophanamide
  • GR-72251
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