Products for Research Use Only
RegisterLogin

V-9302

CAT: 0127-BUP06141-05Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP06141-05Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1855871-76-9
Purity
=98%
Smiles
Cc1cccc(COc2ccccc2CN(CC[C@H](N)C(O)=O)Cc2ccccc2OCc2cccc(C)c2)c1

Chemical Information

(S)-2-amino-4-(bis(2-((3-methylbenzyl)oxy)benzyl)amino)butanoic acid
CAS Number1855871-76-9
PubChem CID127035871
IUPAC Name(2S)-2-amino-4-[bis[[2-[(3-methylphenyl)methoxy]phenyl]methyl]amino]butanoic acid
Molecular FormulaC34H38N2O4
Molecular Weight538.7
XLogP3.7
Topological Polar Surface Area85
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count40
Formal Charge0
Complexity687
SMILES
CC1=CC(=CC=C1)COC2=CC=CC=C2CN(CC[C@@H](C(=O)O)N)CC3=CC=CC=C3OCC4=CC=CC(=C4)C
InChI
InChI=1S/C34H38N2O4/c1-25-9-7-11-27(19-25)23-39-32-15-5-3-13-29(32)21-36(18-17-31(35)34(37)38)22-30-14-4-6-16-33(30)40-24-28-12-8-10-26(2)20-28/h3-16,19-20,31H,17-18,21-24,35H2,1-2H3,(H,37,38)/t31-/m0/s1
InChIKey
YGKNVAAMULVFNN-HKBQPEDESA-N
Chemical Structure
2D Structure
2D structure of (S)-2-amino-4-(bis(2-((3-methylbenzyl)oxy)benzyl)amino)butanoic acid
CAS: 1855871-76-9
CID: 127035871
Formula: C34H38N2O4
MW: 538.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight538.7
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass538.28315770
Monoisotopic Mass538.28315770
Topological Polar Surface Area85 Ų
Heavy Atom Count40
Formal Charge0
Complexity687
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BUP21935V-0219
BUP02070-01Pseudane V
BUP01746-01Bisindolylmaleimide V
BUP16357-01Batatasin V
BUP20127-01Isomogroside V
BUP01376-01Rhodojaponin V
BUP04461-01SKI V
PC1230E-01Bismuth (V) fluoride
IN2751-01Niobium (V) ethoxide
OR1027313Rhenium (V) Chloride

Alternative Products

CatalogName
MBS5751771V-9302
MBS5800378-01V-9302 hydrochloride
A19704-10V-9302 10mg
A19704-25V-9302 25mg
A19704-5V-9302 5mg

Popular Products