Products for Research Use Only

BMS 187071

CAT: 0013-GTR19195373-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195373-02Size:100 mg
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Description
BMS 187071 is a bioactive small molecule compound utilized in biochemical research. It serves as a tool compound for studying cellular signaling pathways and has been referenced in both in vitro and in vivo experimental models within scientific literature.
CAS Number
161302-39-2
Smiles
CC (C) (C) OC (=O) N[C@@H] (Cc1ccccc1) [C@H] (O) CNC[C@@H] (O) [C@H] (Cc1ccccc1) NC (=O) [C@] (C) (O) C (C) (C) C
Molecular Formula
C32H49N3O6
Molecular Weight
571.75
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bms 187071

structure in first source

CAS Number161302-39-2
PubChem CID44293410
IUPAC Nametert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[[(2S)-2-hydroxy-2,3,3-trimethylbutanoyl]amino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamate
Molecular FormulaC32H49N3O6
Molecular Weight571.7
XLogP3.9
Topological Polar Surface Area140
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Heavy Atom Count41
Formal Charge0
Complexity798
SMILES
C[C@@](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O)(C(C)(C)C)O
InChI
InChI=1S/C32H49N3O6/c1-30(2,3)32(7,40)28(38)34-24(18-22-14-10-8-11-15-22)26(36)20-33-21-27(37)25(19-23-16-12-9-13-17-23)35-29(39)41-31(4,5)6/h8-17,24-27,33,36-37,40H,18-21H2,1-7H3,(H,34,38)(H,35,39)/t24-,25-,26+,27+,32+/m0/s1
InChIKey
QRYXFTOKZCERLS-YPGOOEOSSA-N
Chemical Structure
2D Structure
2D structure of Bms 187071
CAS: 161302-39-2
CID: 44293410
Formula: C32H49N3O6
MW: 571.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight571.7
XLogP33.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Exact Mass571.36213629
Monoisotopic Mass571.36213629
Topological Polar Surface Area140 Ų
Heavy Atom Count41
Formal Charge0
Complexity798
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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