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Z-Tyr-OMe

CAT: 0121-4000134.0025Size: 25 gDry Ice: NoHazardous: No
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CAT#:0121-4000134.0025Size:25 g
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CAS Number
13512-31-7
Specifications
C-4040.0025
Sequence
Z-Tyr-OMe
Molecular Formula
C₁₈H₁₉NO₅
Molecular Weight
329.35
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

N-[(Phenylmethoxy)carbonyl]-L-tyrosine methyl ester
CAS Number13512-31-7
PubChem CID7010613
IUPAC Namemethyl (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
Molecular FormulaC18H19NO5
Molecular Weight329.3
XLogP2.2
Topological Polar Surface Area84.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity400
SMILES
COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C18H19NO5/c1-23-17(21)16(11-13-7-9-15(20)10-8-13)19-18(22)24-12-14-5-3-2-4-6-14/h2-10,16,20H,11-12H2,1H3,(H,19,22)/t16-/m0/s1
InChIKey
SLLMDHBKALJDBW-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of N-[(Phenylmethoxy)carbonyl]-L-tyrosine methyl ester
CAS: 13512-31-7
CID: 7010613
Formula: C18H19NO5
MW: 329.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.3
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass329.12632271
Monoisotopic Mass329.12632271
Topological Polar Surface Area84.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity400
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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