Chem
J-GLOBAL ID：200907031345247052   Nikkaji number：J2.058.741E

(2S)-2-[(3aR)-1,3-Dioxo-3aα,7aα-dimethyl-3a,4,5,6,7,7a-hexahydro-4β,7β-epoxy-2H-isoindole-2-yl]-5-guanidinovaleric acid

(2S)-2-[(3aR)-1,3-ジオキソ-3aα,7aα-ジメチル-3a,4,5,6,7,7a-ヘキサヒドロ-4β,7β-エポキシ-2H-イソインドール-2-イル]-5-グアニジノ吉草酸
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： C16H24N4O5
Molecular formula furigana： C16-H24-N4-O5
Molecular weight： 352.391
InChI： InChI=1S/C16H24N4O5/c1-15-9-5-6-10(25-9)16(15,2)13(24)20(12(15)23)8(11(21)22)4-3-7-19-14(17)18/h8-10H,3-7H2,1-2H3,(H,21,22)(H4,17,18,19)/t8-,9-,10+,15+,16-/m0/s1
InChI key： DYJXSJANLQKJAG-MOPVAPMCSA-N
SMILES： C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)C2=O
Systematic name  (3)：
  • (2S)-2-[(3aR)-1,3-ジオキソ-3aα,7aα-ジメチル-3a,4,5,6,7,7a-ヘキサヒドロ-4β,7β-エポキシ-2H-イソインドール-2-イル]-5-グアニジノ吉草酸
  • (2S)-5-カルバムイミドアミド-2-[(1R,2S,6R,7S)-2,6-ジメチル-3,5-ジオキソ-10-オキサ-4-アザトリシクロ[5.2.1.02,6]デカン-4-イル]ペンタン酸
  • (2S)-5-carbamimidamido-2-[(1R,2S,6R,7S)-2,6-dimethyl-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.02,6]decan-4-yl]pentanoic acid
Other name (1)：
  • (2S)-2-[(3aR)-1,3-Dioxo-3aα,7aα-dimethyl-3a,4,5,6,7,7a-hexahydro-4β,7β-epoxy-2H-isoindole-2-yl]-5-guanidinovaleric acid
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