Chem
J-GLOBAL ID:200907050876239687   Nikkaji number:J739.964B

pGlu-L-Val-L-Asn-L-Phe-L-Ser-L-Pro-L-Ser-L-Trp-Gly-L-Asn-NH2

pGlu-L-Val-L-Asn-L-Phe-L-Ser-L-Pro-L-Ser-L-Trp-Gly-L-Asn-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: C51H68N14O15
Molecular formula furigana: C51-H68-N14-O15
Molecular weight: 1117.188
InChI: InChI=1S/C51H68N14O15/c1-25(2)42(64-45(74)30-14-15-40(70)57-30)50(79)61-34(20-39(53)69)47(76)59-32(17-26-9-4-3-5-10-26)46(75)63-36(24-67)51(80)65-16-8-13-37(65)49(78)62-35(23-66)48(77)60-33(18-27-21-55-29-12-7-6-11-28(27)29)44(73)56-22-41(71)58-31(43(54)72)19-38(52)68/h3-7,9-12,21,25,30-37,42,55,66-67H,8,13-20,22-24H2,1-2H3,(H2,52,68)(H2,53,69)(H2,54,72)(H,56,73)(H,57,70)(H,58,71)(H,59,76)(H,60,77)(H,61,79)(H,62,78)(H,63,75)(H,64,74)/t30-,31-,32-,33-,34-,35-,36-,37-,42-/m0/s1
InChI key: XFNVTNJIZATXQE-HFRCKLQCSA-N
SMILES: CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N
Systematic name  (3):
  • pGlu-L-Val-L-Asn-L-Phe-L-Ser-L-Pro-L-Ser-L-Trp-Gly-L-Asn-NH2
  • (2S)-N-[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-[({[(1S)-1,2-ジカルバモイルエチル]カルバモイル}メチル)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}-2-ヒドロキシエチル]カルバモイル}ピロリジン-1-イル]-3-ヒドロキシ-1-オキソプロパン-2-イル]カルバモイル}-2-フェニルエチル]-2-[(2S)-3-メチル-2-{[(2S)-5-オキソピロリジン-2-イル]ホルムアミド}ブタンアミド]ブタンジアミド
  • (2S)-N-[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-[({[(1S)-1,2-dicarbamoylethyl]carbamoyl}methyl)carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]carbamoyl}-2-phenylethyl]-2-[(2S)-3-methyl-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}butanamido]butanediamide
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