Chem
J-GLOBAL ID：200907006625027622   Nikkaji number：J2.444.699I

(5S)-1-[(2R,3S,4S)-2-Methyl-3-hydroxy-4-[[(2S)-2-(methylamino)propionyl]amino]pentanoyl]-4-methoxy-5-isopropyl-1H-pyrrole-2(5H)-one

(5S)-1-[(2R,3S,4S)-2-メチル-3-ヒドロキシ-4-[[(2S)-2-(メチルアミノ)プロピオニル]アミノ]ペンタノイル]-4-メトキシ-5-イソプロピル-1H-ピロール-2(5H)-オン
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： C18H31N3O5
Molecular formula furigana： C18-H31-N3-O5
Molecular weight： 369.462
InChI： InChI=1S/C18H31N3O5/c1-9(2)15-13(26-7)8-14(22)21(15)18(25)10(3)16(23)11(4)20-17(24)12(5)19-6/h8-12,15-16,19,23H,1-7H3,(H,20,24)/t10-,11+,12+,15+,16+/m1/s1
InChI key： KBNFFZSKAUVXHA-BFPXCNAZSA-N
SMILES： CN[C@@H](C)C(=O)N[C@@H](C)[C@@H](O)[C@@H](C)C(=O)N1[C@@H](C(C)C)C(=CC1=O)OC
Systematic name  (3)：
  • (5S)-1-[(2R,3S,4S)-2-メチル-3-ヒドロキシ-4-[[(2S)-2-(メチルアミノ)プロピオニル]アミノ]ペンタノイル]-4-メトキシ-5-イソプロピル-1H-ピロール-2(5H)-オン
  • (2S)-N-[(2S,3S,4R)-3-ヒドロキシ-5-[(2S)-3-メトキシ-5-オキソ-2-(プロパン-2-イル)-2,5-ジヒドロ-1H-ピロール-1-イル]-4-メチル-5-オキソペンタン-2-イル]-2-(メチルアミノ)プロパンアミド
  • (2S)-N-[(2S,3S,4R)-3-hydroxy-5-[(2S)-3-methoxy-5-oxo-2-(propan-2-yl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-5-oxopentan-2-yl]-2-(methylamino)propanamide
Other name (1)：
  • (5S)-1-[(2R,3S,4S)-2-Methyl-3-hydroxy-4-[[(2S)-2-(methylamino)propionyl]amino]pentanoyl]-4-methoxy-5-isopropyl-1H-pyrrole-2(5H)-one
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