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BW 175

CAT: 0931-T30641-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T30641-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
120716-81-6
Target
Others
Related Pathways
Others
Bioactivity
BW 175 is a bioactive chemical.
Smiles
CCCC[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)CC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CN1CCOCC1
Molecular Formula
C37H57N3O7S
Molecular Weight
687.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BW 175

structure given in first source

CAS Number120716-81-6
PubChem CID129247
IUPAC Name(2S)-N-(1-cyclohexyl-3,4-dihydroxy-5-morpholin-4-ylpentyl)-2-[[2-(ethylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanamide
Molecular FormulaC37H57N3O7S
Molecular Weight687.9
XLogP4.9
Topological Polar Surface Area154
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Heavy Atom Count48
Formal Charge0
Complexity1070
SMILES
CCCC[C@@H](C(=O)NC(CC(C(CN1CCOCC1)O)O)C2CCCCC2)NC(=O)C(CC3=CC=CC4=CC=CC=C43)CS(=O)(=O)CC
InChI
InChI=1S/C37H57N3O7S/c1-3-5-18-32(38-36(43)30(26-48(45,46)4-2)23-29-16-11-15-27-12-9-10-17-31(27)29)37(44)39-33(28-13-7-6-8-14-28)24-34(41)35(42)25-40-19-21-47-22-20-40/h9-12,15-17,28,30,32-35,41-42H,3-8,13-14,18-26H2,1-2H3,(H,38,43)(H,39,44)/t30?,32-,33?,34?,35?/m0/s1
InChIKey
KWZQSSZGRAYHPC-JVYWTFSOSA-N
Chemical Structure
2D Structure
2D structure of BW 175
CAS: 120716-81-6
CID: 129247
Formula: C37H57N3O7S
MW: 687.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight687.9
XLogP34.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Exact Mass687.39172234
Monoisotopic Mass687.39172234
Topological Polar Surface Area154 Ų
Heavy Atom Count48
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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