Z-Asp-OMe 100g

CAT: 0628-A23277-100000Size: 100000 mgDry Ice: NoHazardous: No

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CAT#:0628-A23277-100000Size:100000 mg

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CAS Number

4668-42-2

Chemical Information

Z-Asp-OMe

CAS Number	4668-42-2
PubChem CID	7021783
IUPAC Name	(3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
Molecular Formula	C13H15NO6
Molecular Weight	281.26
XLogP	0.9
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	20
Formal Charge	0
Complexity	351

SMILES

COC(=O)[C@H](CC(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H15NO6/c1-19-12(17)10(7-11(15)16)14-13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)(H,15,16)/t10-/m0/s1

InChIKey

MFFFBNAPQRDRQW-JTQLQIEISA-N

Chemical Structure

2D Structure

CAS: 4668-42-2

CID: 7021783

Formula: C13H15NO6

MW: 281.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	281.26
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	281.08993720
Monoisotopic Mass	281.08993720
Topological Polar Surface Area	102 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	351
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
C-3475.0001	Z-Asp-OMe
260236-01	Z-Asp (OMe) -OH
5-07201	Z-Asp(OtBu)-OMe
5-07189	Z-Asp(OMe)-OtBu
MBS5808536	Z-Asp(OMe)-OH
5-07213	Z-D-Asp-OMe
HY-134563	Z-Asp (OMe) -Gln-Met-Asp (OMe) -FMK
4027402.0001	Z-Asp (OMe) -Glu (OMe) -Val-DL-Asp (OMe) -fluoromethylketone