Alvimopan

CAT: 0127-BUP08528-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08528-05Size:100 mg

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CAS Number

156053-89-3

Purity

=98%

Smiles

C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CC[C@@]1(C)c1cccc(O)c1

Chemical Information

Alvimopan

Alvimopan is a peptide.

CAS Number	156053-89-3
PubChem CID	5488548
IUPAC Name	2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid
Molecular Formula	C25H32N2O4
Molecular Weight	424.5
XLogP	1.7
Topological Polar Surface Area	89.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	31
Formal Charge	0
Complexity	606

SMILES

C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)NCC(=O)O

InChI

InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1

InChIKey

UPNUIXSCZBYVBB-JVFUWBCBSA-N

Chemical Structure

2D Structure

CAS: 156053-89-3

CID: 5488548

Formula: C25H32N2O4

MW: 424.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	424.5
XLogP3	1.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	424.23620751
Monoisotopic Mass	424.23620751
Topological Polar Surface Area	89.9 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	606
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
259087-01	Alvimopan

Alvimopan

Chemical Information

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