Chemical Compound

(2S)-N-[(2S)-2-[[(2R)-4-[(2S)-2-[(2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]amino]-1-methoxy-2-methyl-3-oxo-propyl]pyrrolidin-1-yl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxo-butyl]-methyl-amino]-3-methyl-butanoyl]-3-methyl-2-(methylamino)butanamide

CAS Registry Number 474645-27-7
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(2S)-N-[(2S)-2-[[(2R)-4-[(2S)-2-[(2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]amino]-1-methoxy-2-methyl-3-oxo-propyl]pyrrolidin-1-yl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxo-butyl]-methyl-amino]-3-methyl-butanoyl]-3-methyl-2-(methylamino)butanamide 结构式
Primary record

(2S)-N-[(2S)-2-[[(2R)-4-[(2S)-2-[(2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]amino]-1-methoxy-2-methyl-3-oxo-propyl]pyrrolidin-1-yl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxo-butyl]-methyl-amino]-3-methyl-butanoyl]-3-methyl-2-(methylamino)butanamide

库存
3,997 克
纯度
99.0 %
CAS
474645-27-7

化合物标识与属性

CAS
474645-27-7
PubChem CID
126963463
SMILES
CC[C@H](C)C([C@@H](CC(=O)N1CCC[C@H]1C([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)[C@@H](C(C)C)C(=O)NC(=O)[C@H](C(C)C)NC
Canonical SMILES
CC[C@H](C)C([C@@H](CC(=O)N1CCC[C@H]1C(OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)[C@H](C(=O)NC(=O)[C@@H](NC)C(C)C)C(C)C

名称与同义词

  • Monomethyl auristatin E
  • orb1300366
  • SCHEMBL29766500
  • C39H67N5O7
  • MFCD22124498
  • AKOS030228444
  • 474645-27-7
  • AC-30597
  • AS-57864
  • (2S)-N-[(2S)-2-[[(2R)-4-[(2S)-2-[(2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]amino]-1-methoxy-2-methyl-3-oxo-propyl]pyrrolidin-1-yl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxo-butyl]-methyl-amino]-3-methyl-butanoyl]-3-methyl-2-(methylamino)butanamide
  • (2S)-N-[(2S)-2-[[(3R,5S)-1-[(2S)-2-[(2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methylbutanoyl]-3-methyl-2-(methylamino)butanamide