Primary Record
Aeruginopeptin 95B
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 177404437
- SMILES
- CC[C@H](C)[C@H]1C(=O)O[C@@H](C(C(=O)NC(C(=O)N[C@H]2CC[C@H](N(C2=O)C(C(=O)N([C@H](C(=O)N1)CC3=CC=CC=C3)C)[C@@H](C)O)O)C4CCC(C=C4)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC5=CC=C(C=C5)O)O)C
- Canonical SMILES
- CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C([C@@H](C)O)N2C(=O)[C@H](CC[C@H]2O)NC(=O)C(C2C=CC(O)CC2)NC(=O)C(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](O)Cc2ccc(O)cc2)[C@@H](C)O)[C@@H](C)OC1=O
Names & Synonyms
- Aeruginopeptin 95B
- J2.795.904K
- (2R,3S,6S,9S,12R,14S,17S,20S)-17-Benzyl-20-[(S)-1-methylpropyl]-12-hydroxy-6-(4-hydroxy-2-cyclohexenyl)-14-[(R)-1-hydroxyethyl]-3-[[N-[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]-L-Thr-L-Gln-]amino]-2,16-dimethyl-9,13-methano-1-oxa-5,8,13,16,19-pentaazacyclohenicosane-4,7,15,18,21,22-hexaone
- (2S)-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-[(2S)-butan-2-yl]-21-hydroxy-15-(4-hydroxycyclohex-2-en-1-yl)-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl]-2-[(2S,3R)-3-hydroxy-2-[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido]butanamido]pentanediamide