Primary Record
SCHEMBL31330212
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 172621161
- SMILES
- CC1=CC(=C(C(=C1)OP(=O)(O)O)C(C)(C)CC(=O)O[C@@H](CN(CC2=C(C=C(C=C2F)C3=NN(C=C3)C(F)F)F)NC(=O)[C@H](C(C)(C)C(F)(F)F)NC(=O)OC)[C@H](CC4=CC=C(C=C4)C#CC5=CN=C(N=C5)N6CC7CCC(C6)N7C8COC8)NC(=O)[C@H](C(C)(C)C(F)(F)F)NC(=O)OC)CC(=O)N[C@@H](CCC(=O)N)C(=O)O
- Canonical SMILES
- COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(C#Cc2cnc(N3CC4CCC(C3)N4C3COC3)nc2)cc1)[C@H](CN(Cc1c(F)cc(-c2ccn(C(F)F)n2)cc1F)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C(F)(F)F)OC(=O)CC(C)(C)c1c(CC(=O)N[C@@H](CCC(N)=O)C(=O)O)cc(C)cc1OP(=O)(O)O)C(C)(C)C(F)(F)F
Names & Synonyms
- SCHEMBL31330212
- (2S)-5-amino-2-[[2-[2-[3-[(1S,2S)-1-[[[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluoro-phenyl]methyl-[[(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]amino]methyl]-3-[4-[2-[2-[8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyrimidin-5-yl]ethynyl]phenyl]-2-[[(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]propoxy]-1,1-dimethyl-3-oxo-propyl]-5-methyl-3-phosphonooxy-phenyl]acetyl]amino]-5-oxo-pentanoic acid