H-beta-Ala-Val-OH

CAT: 0926-FA107981-01Size: 2000 mgDry Ice: NoHazardous: No

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CAT#:0926-FA107981-01Size:2000 mg

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CAS Number

17136-26-4

MDL Number

MFCD00136511

Smiles

CC (C) [C@@H] (C (=O) O) NC (=O) CCN

Molecular Formula

C8H16N2O3

Molecular Weight

188.22 g/mol

Controlled

Chemical Information

beta-Alanyl-L-valine

CAS Number	17136-26-4
PubChem CID	6993148
IUPAC Name	(2S)-2-(3-aminopropanoylamino)-3-methylbutanoic acid
Molecular Formula	C8H16N2O3
Molecular Weight	188.22
XLogP	-2.8
Topological Polar Surface Area	92.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	13
Formal Charge	0
Complexity	192

SMILES

CC(C)[C@@H](C(=O)O)NC(=O)CCN

InChI

InChI=1S/C8H16N2O3/c1-5(2)7(8(12)13)10-6(11)3-4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t7-/m0/s1

InChIKey

DVIZUEAPVZZYCO-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 17136-26-4

CID: 6993148

Formula: C8H16N2O3

MW: 188.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.22
XLogP3	-2.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	188.11609238
Monoisotopic Mass	188.11609238
Topological Polar Surface Area	92.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	192
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FV108223-01	H-Val-beta-Ala-OH
FV109474-01	H-Val-Ala-Ala-Phe-OH
FA111450-01	Z-beta-Ala-Val-OH
TDA41438-01	H-Ala-Val-Leu-OH
FA107956	H-beta-Ala-Ala-OH
FA111449-01	Z-Ala-Val-OH
FS184322-01	H-Ser-Ile-Lys-Val-Ala-Val-OH trifluoroacetate
FM109085-01	MeOSuc-Ala-Ala-Pro-Val-OH
FA108393-01	H-beta-Ala-b-Ala-b-Ala-OH
FP108140-01	H-Phe-beta-Ala-OH