(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

HCID 16745346

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

Related reactions

3 records

Compound notes

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