Chem
J-GLOBAL ID：200907043878646330   Nikkaji number：J2.139.510B

N-[12-[[(1S)-1-[[(1S)-1-Carboxy-2-methylbutyl]carbamoyl]-2-methylbutyl]amino]-1,12-dioxododecyl]-L-Val-L-Val-OH

N-[12-[[(1S)-1-[[(1S)-1-カルボキシ-2-メチルブチル]カルバモイル]-2-メチルブチル]アミノ]-1,12-ジオキソドデシル]-L-Val-L-Val-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： C34H62N4O8
Molecular formula furigana： C34-H62-N4-O8
Molecular weight： 654.890
InChI： InChI=1S/C34H62N4O8/c1-9-23(7)29(32(42)38-30(34(45)46)24(8)10-2)36-26(40)20-18-16-14-12-11-13-15-17-19-25(39)35-27(21(3)4)31(41)37-28(22(5)6)33(43)44/h21-24,27-30H,9-20H2,1-8H3,(H,35,39)(H,36,40)(H,37,41)(H,38,42)(H,43,44)(H,45,46)/t23?,24?,27-,28-,29-,30-/m0/s1
InChI key： UUKFUXFPLBKJFT-OIDGOUMNSA-N
SMILES： CCC(C)[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)C(C)CC)C(=O)O
Systematic name  (3)：
  • N-[12-[[(1S)-1-[[(1S)-1-カルボキシ-2-メチルブチル]カルバモイル]-2-メチルブチル]アミノ]-1,12-ジオキソドデシル]-L-Val-L-Val-OH
  • (2S)-2-[(2S)-2-(11-{[(1S)-1-{[(1S)-1-カルボキシ-2-メチルプロピル]カルバモイル}-2-メチルプロピル]カルバモイル}ウンデカンアミド)-3-メチルペンタンアミド]-3-メチルペンタン酸
  • (2S)-2-[(2S)-2-(11-{[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-methylpropyl]carbamoyl}undecanamido)-3-methylpentanamido]-3-methylpentanoic acid
Other name (1)：
  • N-[12-[[(1S)-1-[[(1S)-1-Carboxy-2-methylbutyl]carbamoyl]-2-methylbutyl]amino]-1,12-dioxododecyl]-L-Val-L-Val-OH
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