Primary Record
CHEMBL5848858
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 146596927
- SMILES
- C[C@@H](C(=O)N[C@H]1CCS[C@H]2CC([C@H](N2C1=O)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)C(=O)NCC#CC#CCNC(=O)[C@@H]5CC6=CC=CC=C6[C@@H]5NC(=O)[C@@H]7C(C[C@H]8N7C(=O)[C@H](CCS8)NC(=O)[C@H](C)NC)(C)C)(C)C)NC
- Canonical SMILES
- CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)[C@@H](C(=O)N[C@H]3c4ccccc4C[C@H]3C(=O)NCC#CC#CCNC(=O)[C@@H]3Cc4ccccc4[C@@H]3NC(=O)[C@H]3N4C(=O)[C@@H](NC(=O)[C@H](C)NC)CCS[C@H]4CC3(C)C)N2C1=O
Names & Synonyms
- CHEMBL5848858
- SCHEMBL21995088
- BDBM580992
- US11492361, Example 49
- (4S,7S,9aS)—N-[(1R,2R)-2-[(6-{[(1R,2R)-1-[(4S,7S,9aS)-8,8-dimethyl-4-[(2S)-2-(methylamino)propanamido]-5-oxo-octahydropyrrolo[2,1-b][1,3]thiazepine-7-amido]-2,3-dihydro-1H-inden-2-yl]formamido}hexa-2,4-diyn-1-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-8,8-dimethyl-4-[(2S)-2-(methylamino)propanamido]-5-oxo-octahydropyrrolo[2,1-b][1,3]thiazepine-7-carboxamide