(2S,3S)-2-[4-[(1R)-1-amino-2-hydroxyethyl]triazol-1-yl]-1-[4-[4-[4-[(2S,3S)-2-[4-[(1R)-1-amino-2-hydroxyethyl]triazol-1-yl]-3-methylpentanoyl]piperazin-1-yl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
Basic information
- Standard SMILES
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n3cc([C@@H](N)CO)nn3)CC2)nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n3cc([C@@H](N)CO)nn3)CC2)n1.Cl- InChIKey
ACOGNPJCAUNYKJ-ORFYIMQMSA-N- Molecular formula
- C40H67ClN16O7
- Average molar mass
- 919.5 g/mol
- Monoisotopic mass
- 918.5067162
Names & identifiers
- Preferred name
- (2S,3S)-2-[4-[(1R)-1-amino-2-hydroxyethyl]triazol-1-yl]-1-[4-[4-[4-[(2S,3S)-2-[4-[(1R)-1-amino-2-hydroxyethyl]triazol-1-yl]-3-methylpentanoyl]piperazin-1-yl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
- IUPAC
- (2S,3S)-2-[4-[(1R)-1-amino-2-hydroxyethyl]triazol-1-yl]-1-[4-[4-[4-[(2S,3S)-2-[4-[(1R)-1-amino-2-hydroxyethyl]triazol-1-yl]-3-methylpentanoyl]piperazin-1-yl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
Names & synonyms
SI-SIMLS000562615CHEMBL1353655SCHEMBL29349431ACOGNPJCAUNYKJ-ORFYIMQMSA-NSMR000391127
Database identifiers
- PubChem CID
- 16745346
- ChEMBL
CHEMBL1353655
Properties
Computed structural properties
- Topological polar surface area
- 279 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 25
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,320
Related reactions
3 records
Compound notes
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