Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C35H55N9O16
- Molecular weight
- 857.9 g/mol
- IUPAC name
- (2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid
- SMILES
- C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)O
- InChIKey
- IWHCAJPPWOMXNW-LYKMMFCUSA-N
- XLogP
- -8.6
- Polar surface area
- 431 Ų
- H-bond donors
- 16
- H-bond acceptors
- 17
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Max clinical phase
- Phase 2
- Molecule type
- Protein
- Indications
- HIV infection, Cognitive impairment
via ChEMBL · EBI
Wikidata facts
- Mass
- 857.377
Show 3 more facts
- chemical formula
- C₃₅H₅₅N₉O₁₆
- canonical SMILES
- CC(C(C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CO)NC(=O)C(C)N)O
- isomeric SMILES
- C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)O
Sources (1)
via Wikidata · CC0