Chem
J-GLOBAL ID：200907041727634108   Nikkaji number：J1.679.933E

JMV-2004

L-Lys-L-Lys-L-Proψ(CH2NH)-D-Trp-L-Ile-L-Leu-OH
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： C40H67N9O6
Molecular formula furigana： C40-H67-N9-O6
Molecular weight： 770.033
InChI： InChI=1S/C40H67N9O6/c1-5-26(4)35(38(52)47-34(40(54)55)21-25(2)3)48-37(51)33(22-27-23-44-31-16-7-6-14-29(27)31)45-24-28-13-12-20-49(28)39(53)32(17-9-11-19-42)46-36(50)30(43)15-8-10-18-41/h6-7,14,16,23,25-26,28,30,32-35,44-45H,5,8-13,15,17-22,24,41-43H2,1-4H3,(H,46,50)(H,47,52)(H,48,51)(H,54,55)/t26-,28-,30-,32-,33+,34-,35-/m0/s1
InChI key： UGDWLZWRIVZMSU-KWXWJMFGSA-N
SMILES： CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O
Systematic name  (3)：
  • L-Lys-L-Lys-L-Proψ(CH2NH)-D-Trp-L-Ile-L-Leu-OH
  • (2S)-2-[(2S,3S)-2-[(2R)-2-({[(2S)-1-[(2S)-6-アミノ-2-[(2S)-2,6-ジアミノヘキサンアミド]ヘキサノイル]ピロリジン-2-イル]メチル}アミノ)-3-(1H-インドール-3-イル)プロパンアミド]-3-メチルペンタンアミド]-4-メチルペンタン酸
  • (2S)-2-[(2S,3S)-2-[(2R)-2-({[(2S)-1-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanoyl]pyrrolidin-2-yl]methyl}amino)-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-4-methylpentanoic acid
Other name (1)：
  • JMV-2004
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