Basic information
- Standard SMILES
CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN2CCC[C@H]2C(=O)O)cc1OC- InChIKey
RAOIMTPEPSLKEC-REWPJTCUSA-N- Molecular formula
- C27H41N5O5
- Average molar mass
- 515.6 g/mol
Names & identifiers
- Preferred name
- (S)-1-(3-(4-((2-amino-4-((S)-1-hydroxyhexan-3-ylamino)-6-methylpyrimidin-5-yl)methyl)-3-methoxyphenoxy)propyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S)-1-[3-[4-[[2-amino-4-[[(3S)-1-hydroxyhexan-3-yl]amino]-6-methylpyrimidin-5-yl]methyl]-3-methoxyphenoxy]propyl]pyrrolidine-2-carboxylic acid
Names & synonyms
(S)-1-(3-(4-((2-amino-4-((S)-1-hydroxyhexan-3-ylamino)-6-methylpyrimidin-5-yl)methyl)-3-methoxyphenoxy)propyl)pyrrolidine-2-carboxylic acidCHEMBL5837760SCHEMBL15393008RAOIMTPEPSLKEC-REWPJTCUSA-NUS10150743, Example 9BDBM307528
Database identifiers
- PubChem CID
- 89907922
- ChEMBL
CHEMBL5837760
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 15
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 673
Related reactions
1 records
Compound notes
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