Basic information
- CAS
150611-80-6- Standard SMILES
CC(=N)N1CC[C@H](Oc2ccc([C@H](Cc3ccc4ccc(C(=N)N)cc4c3)C(=O)O)cc2)C1.Cl- InChIKey
MQAQKHCMPMBWIS-UKOKCHKQSA-N- Molecular formula
- C26H29ClN4O3
- Average molar mass
- 481 g/mol
- Monoisotopic mass
- 480.1928185
Names & identifiers
- Preferred name
- DX-9065 hydrochloride
- IUPAC
- (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid;hydrochloride
Names & synonyms
DX-9065 hydrochlorideWJ9EV5WM6QUNII-WJ9EV5WM6Q150611-80-62-Naphthalenepropanoic acid, 7-(aminoiminomethyl)-alpha-(4-(((3S)-1-(1-iminoethyl)-3-pyrrolidinyl)oxy)phenyl)-, monohydrochloride, (alphaS)-2-Naphthalenepropanoic acid, 7-(aminoiminomethyl)-alpha-(4-((1-(1-iminoethyl)-3-pyrrolidinyl)oxy)phenyl)-, monohydrochloride, (S-(R*,R*))-2-NAPHTHALENEPROPANOIC ACID, 7-(AMINOIMINOMETHYL)-.ALPHA.-(4-(((3S)-1-(1-IMINOETHYL)-3-PYRROLIDINYL)OXY)PHENYL)-, MONOHYDROCHLORIDE, (.ALPHA.S)-2-NAPHTHALENEPROPANOIC ACID, 7-(AMINOIMINOMETHYL)-.ALPHA.-(4-((1-(1-IMINOETHYL)-3-PYRROLIDINYL)OXY)PHENYL)-, MONOHYDROCHLORIDE, (S-(R*,R*))-RefChem:200744CHEMBL539053SCHEMBL8430390DX-9065A HYDROCHLORIDE HYDRATE
Show more names
(2s)-2-[4-[[(3s)-1-acetimidoyl-3-pyrrolidinyl]oxy]phenyl]-3-(7-amidino-2-naphthyl)propanoic acid hydrochloride
Properties
Computed structural properties
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 720
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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