H-Asp (Phe-OH) -OH

CAT: 0121-4033064.0250Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0121-4033064.0250Size:250 mg

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CAS Number

13433-10-8

Specifications

G-4750.0250

Synonyms

H-β-Asp-Phe-OH

Sequence

H-Asp (Phe-OH) -OH

Molecular Formula

C₁₃H₁₆N₂O₅

Molecular Weight

280.28

Shipping Conditions

Ambient Temperature

Storage Temperature

< -15°C

Chemical Information

L-beta-Aspartyl-L-phenylalanine

CAS Number	13433-10-8
PubChem CID	7020415
IUPAC Name	(2S)-2-amino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
Molecular Formula	C13H16N2O5
Molecular Weight	280.28
XLogP	-2.5
Topological Polar Surface Area	130
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	20
Formal Charge	0
Complexity	366

SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N

InChI

InChI=1S/C13H16N2O5/c14-9(12(17)18)7-11(16)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,16)(H,17,18)(H,19,20)/t9-,10-/m0/s1

InChIKey

KDGAYJIGGCDHPH-UWVGGRQHSA-N

Chemical Structure

2D Structure

CAS: 13433-10-8

CID: 7020415

Formula: C13H16N2O5

MW: 280.28

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	280.28
XLogP3	-2.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	280.10592162
Monoisotopic Mass	280.10592162
Topological Polar Surface Area	130 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	366
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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FA108328-01	H-Asp (Phe-OH) -OH
FA108005-01	H-Asp-Phe-OH
HY-P4472-01	H-Phe-Asp-OH
FA110234-01	H-Arg-Phe-Asp-Ser-OH
5-03241	H-Phe-Phe-OH
FA110342-01	H-Asp-Asp-Asp-OH
TRC-H017093-250MG	H-Asp-Asp-OH

H-Asp (Phe-OH) -OH

Chemical Information

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