Chem
J-GLOBAL ID:200907004952195617   Nikkaji number:J1.197.893B

[Lys5]d-NMU-8

L-pGlu-L-Phe-L-Leu-L-Phe-L-Lys-L-Pro-L-Arg-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: C50H74N14O10
Molecular formula furigana: C50-H74-N14-O10
Molecular weight: 1031.230
InChI: InChI=1S/C50H74N14O10/c1-29(2)25-36(61-47(72)38(27-31-15-7-4-8-16-31)62-44(69)33-20-21-41(66)57-33)45(70)63-37(26-30-13-5-3-6-14-30)46(71)59-34(17-9-10-22-51)49(74)64-24-12-19-39(64)48(73)58-32(18-11-23-56-50(54)55)43(68)60-35(42(53)67)28-40(52)65/h3-8,13-16,29,32-39H,9-12,17-28,51H2,1-2H3,(H2,52,65)(H2,53,67)(H,57,66)(H,58,73)(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,70)(H4,54,55,56)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
InChI key: GBDFDCBMTLXIRJ-FDISYFBBSA-N
SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N
Systematic name  (3):
  • L-pGlu-L-Phe-L-Leu-L-Phe-L-Lys-L-Pro-L-Arg-L-Asn-NH2
  • (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-4-メチル-2-[(2S)-2-{[(2S)-5-オキソピロリジン-2-イル]ホルムアミド}-3-フェニルプロパンアミド]ペンタンアミド]-3-フェニルプロパンアミド]ヘキサノイル]ピロリジン-2-イル]ホルムアミド}-5-カルバムイミドアミドペンタンアミド]ブタンジアミド
  • (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-2-[(2S)-4-methyl-2-[(2S)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}-3-phenylpropanamido]pentanamido]-3-phenylpropanamido]hexanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]butanediamide
Other name (2):
  • [Lys5]-d-NMU-8
  • [Lys5]d-NMU-8
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