L 654284
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Basic information
- CAS
98612-56-7- Standard SMILES
CCOc1ccc(C[C@@H](NC(=O)CC2(S)CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C=S)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)cc1- InChIKey
VNEOOMJYPUDQOL-MDLLQWLJSA-N- Molecular formula
- C46H67N9O9S2
- Average molar mass
- 954.2 g/mol
- Monoisotopic mass
- 953.4503171
Names & identifiers
- Preferred name
- L 654284
- IUPAC
- (2S)-N-[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-sulfanylidenepropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(4-ethoxyphenyl)-2-[[2-(1-sulfanylcyclohexyl)acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]butanediamide
- English name
- N-(1,3,4,6,7,12b-hexahydro-2H-benzo(b)furo(2,3-a)quinolizin-2-yl)-N-methyl-2-hydroxyethanesulfonamide
- Molecular formula
- C46H67N9O9S2
- Molecular weight
- 954.21
Names & synonyms
98612-56-7L 654284L-654,284RefChem:924320Hbfqmh(2S)-N-[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-sulfanylidenepropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(4-ethoxyphenyl)-2-[[2-(1-sulfanylcyclohexyl)acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]butanediamidePDSP1_001654PDSP2_0016382-Hydroxy-N-methyl-N-(4-oxa-11-azatetracyclo[11.4.0.01,5.06,11]heptadeca-5,9,12-trien-3-yl)ethanesulfonamideEthanesulfonamide, N-(1,3,4,6,7,12b-hexahydro-2H-benzo(b)furo(2,3-a)quinolizin-2-yl)-N-methyl-2-hydroxy-L-Lysinamide, O-ethyl-N-((1-mercaptocyclohexyl)acetyl)-D-tyrosyl-L-phenylalanyl-L-valyl-L-asparaginyl-L-cysteinyl-, cyclic (1-5)-disulfideN-(1,3,4,6,7,12b-Hexahydro-2H-benzo(b)furo(2,3-a)quinolizin-2-yl)-N-methyl-2-hydroxyethanesulfonamide
Show more names
L654L 654L-654L654284L-654284Reaxys ID: 6047328
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 329 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 28
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,640
Chemistry & industry
Applications
DescriptionL 654284 is a potent and selective antagonist of the alpha 2 adrenoceptor.
Related reactions
0 records
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Compound notes
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