Cbz-TRIS tri-acid

CAT: 0931-TYD-03394-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TYD-03394-01Size:10 mg

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CAS Number

200133-16-0

Target

Others

Related Pathways

Others

Bioactivity

Cbz-TRIS tri-acid is a small molecule compound with multiple functional groups, including a carbamate group, a TRIS (tris (hydroxymethyl) aminomethane) group, and three carboxylic acid groups.

Smiles

O=C(O)CCOCC(NC(=O)OCC=1C=CC=CC1)(COCCC(=O)O)COCCC(=O)O

Molecular Formula

C21H29NO11

Molecular Weight

471.46

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

3-[2-Benzyloxycarbonylamino-3-(2-carboxy-ethoxy)-2-(2-carboxy-ethoxymethyl)-propoxy]-propionic acid

CAS Number	200133-16-0
PubChem CID	21606755
IUPAC Name	3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenylmethoxycarbonylamino)propoxy]propanoic acid
Molecular Formula	C21H29NO11
Molecular Weight	471.5
XLogP	-0.6
Topological Polar Surface Area	178
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	19
Heavy Atom Count	33
Formal Charge	0
Complexity	564

SMILES

C1=CC=C(C=C1)COC(=O)NC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O

InChI

InChI=1S/C21H29NO11/c23-17(24)6-9-30-13-21(14-31-10-7-18(25)26,15-32-11-8-19(27)28)22-20(29)33-12-16-4-2-1-3-5-16/h1-5H,6-15H2,(H,22,29)(H,23,24)(H,25,26)(H,27,28)

InChIKey

NQLURFNELQYXEY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 200133-16-0

CID: 21606755

Formula: C21H29NO11

MW: 471.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	471.5
XLogP3	-0.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	19
Exact Mass	471.17406074
Monoisotopic Mass	471.17406074
Topological Polar Surface Area	178 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	564
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-44312-01	Cbz-TRIS tri-acid
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MBS9022435-01	A(Cbz)-acetic acid
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Cbz-TRIS tri-acid

Chemical Information

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