Chemical Compound

Nepsilon-Z-[Lys3]Didemnin B

Nepsilon-Z-[Lys3]Didemnin B chemical structure
Primary Record

Nepsilon-Z-[Lys3]Didemnin B

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177494642
SMILES
CC[C@H](C)C1[C@H](CC(=O)OC(C(=O)[C@@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)N(C(C(=O)O[C@@H](C(C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C)O)C)CC4=CC=C(C=C4)OC)C)CCCCNC(=O)OCC5=CC=CC=C5)C)C(C)C)O
Canonical SMILES
CC[C@H](C)C1NC(=O)C(NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)C(CCCCNC(=O)OCc2ccccc2)NC(=O)[C@@H](C)C(=O)C(C(C)C)OC(=O)C[C@@H]1O

Names & Synonyms

  • Nepsilon-Z-[Lys3]Didemnin B
  • J1.465.206J
  • benzyl N-{4-[(3S,6R,7S,10R,11S,15S,17S,20S,25aS)-10-[(2S)-butan-2-yl]-11-hydroxy-7-[(2R)-2-{1-[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-2-yl]-N-methylformamido}-4-methylpentanamido]-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-1,4,8,13,16,18,21-heptaoxo-15-(propan-2-yl)-docosahydro-1H-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-20-yl]butyl}carbamate
  • N-(L-Lac-L-Pro-N-Methyl-D-Leu-)cyclo[L-Thr*-[(3S,4R)-3-hydroxy-4-[(S)-1-methylpropyl]-gammaAbu-]-[(2S,4S)-4-hydroxy*-2,5-dimethyl-3-oxohexanoyl]-N6-Z-L-Lys-L-Pro-N,O-dimethyl-L-Tyr-]