Basic information
- CAS
120716-81-6- Standard SMILES
CCCC[C@H](NC(=O)C(Cc1cccc2ccccc12)CS(=O)(=O)CC)C(=O)NC(CC(O)C(O)CN1CCOCC1)C1CCCCC1- InChIKey
KWZQSSZGRAYHPC-JVYWTFSOSA-N- Molecular formula
- C37H57N3O7S
- Average molar mass
- 687.9 g/mol
- Monoisotopic mass
- 687.39172234
Overview
structure given in first source
Names & identifiers
- Preferred name
- BW 175
- IUPAC
- (2S)-N-(1-cyclohexyl-3,4-dihydroxy-5-morpholin-4-ylpentyl)-2-[[2-(ethylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanamide
- English name
- BW 175
- Molecular formula
- C37H57N3O7S
- Molecular weight
- 687.93
Names & synonyms
BW-175120716-81-6L-Arabinitol, 1-cyclohexyl-1,2,5-trideoxy-2-((2-((2-((ethylsulfonyl)methyl)-3-(1-naphthalenyl)-1-oxopropyl)amino)-1-oxohexyl)amino)-5-(4-morpholinyl)-, (S-(R*,R*))-RefChem:122405BW 175DTXSID80923546(2S)-N-(1-cyclohexyl-3,4-dihydroxy-5-morpholin-4-ylpentyl)-2-[[2-(ethylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanamideL-Arabinitol,1-cyclohexyl-1,2,5-trideoxy-2-[[(2S)-2-[[(2S)-2-[(ethylsulfonyl)methyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-5-(4-morpholinyl)-1-Cyclohexyl-1,2,5-trideoxy-1-{[(2S)-2-({2-[(ethanesulfonyl)methyl]-1-hydroxy-3-(naphthalen-1-yl)propylidene}amino)-1-hydroxyhexylidene]amino}-5-(morpholin-4-yl)pentitol1-Cyclohexyl-1,2,5-trideoxy-1-{[2-({2-[(ethanesulfonyl)methyl]-1-hydroxy-3-(naphthalen-1-yl)propylidene}amino)-1-hydroxyhexylidene]amino}-5-morpholin-4-ylpentitolN-[(1R,2R,3R)-1-Cyclohexylmethyl-2,3-dihydroxy-4-morpholinobutyl]-Nα-[(2S)-2-ethylsulfonyl-2-(1-naphtylmethyl)-1-oxopropyl]-L-norleucinamideL-Arabinitol, 1-cyclohexyl-1,2,5-trideoxy-2-[[(2S)-2-[[(2S)-2-[(ethylsulfonyl)methyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-5-(4-morpholinyl)-
Database identifiers
- CAS
120716-81-6- PubChem CID
- 129247
- DTXSID
DTXSID80923546
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 18
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,070
Physicochemical properties
- Melting point
- 94 · 94-97 °C
- Boiling point
- 945.431 · 945.431±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.184 · 1.184±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.416 · 13.416±0.46(predicted)
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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