Chemical Compound

VEDOTIN

CAS Registry Number 474645-27-7
VEDOTIN chemical structure
Primary Record

VEDOTIN

In stock
3,997 g
Purity
99.0 %
CAS
474645-27-7

Compound Identifiers & Properties

CAS
474645-27-7
PubChem CID
69428787
SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([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@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](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

Names & Synonyms

  • VEDOTIN
  • SCHEMBL5402148
  • C39H67N5O7
  • MFCD22124498
  • ZINC169748280
  • 474645-27-7
  • (S)-N-((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1R,2R)-1-Hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxohe
  • (2S)-N-[(2S)-2-[[(1S,2R)-4-[(2S)-2-[(1R,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