Home Other Building Blocks Z-BETA-ALA-VAL-OH

Z-BETA-ALA-VAL-OH

CAS No.:
61058-48-8
Catalog Number:
AG00E9HQ
Molecular Formula:
C16H22N2O5
Molecular Weight:
322.3563
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Product Description
Catalog Number:
AG00E9HQ
Chemical Name:
Z-BETA-ALA-VAL-OH
CAS Number:
61058-48-8
Molecular Formula:
C16H22N2O5
Molecular Weight:
322.3563
MDL Number:
MFCD00056145
IUPAC Name:
(2S)-3-methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid
InChI:
InChI=1S/C16H22N2O5/c1-11(2)14(15(20)21)18-13(19)8-9-17-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)/t14-/m0/s1
InChI Key:
XFMVOOGGOCFBNM-AWEZNQCLSA-N
SMILES:
CC([C@@H](C(=O)O)NC(=O)CCNC(=O)OCc1ccccc1)C
Properties
Complexity:
405  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
322.153g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
322.361g/mol
Monoisotopic Mass:
322.153g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties