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30593-19-2

30593-19-2 | Glycine, N-[N-[(phenylmethoxy)carbonyl]-β-alanyl]-, phenylmethyl ester (9CI)

CAS No: 30593-19-2 Catalog No: AG0030MX MDL No:

Product Description

Catalog Number:
AG0030MX
Chemical Name:
Glycine, N-[N-[(phenylmethoxy)carbonyl]-β-alanyl]-, phenylmethyl ester (9CI)
CAS Number:
30593-19-2
Molecular Formula:
C20H22N2O5
Molecular Weight:
370.3991
IUPAC Name:
benzyl 2-[3-(phenylmethoxycarbonylamino)propanoylamino]acetate
InChI:
InChI=1S/C20H22N2O5/c23-18(22-13-19(24)26-14-16-7-3-1-4-8-16)11-12-21-20(25)27-15-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,25)(H,22,23)
InChI Key:
MPBXFSOLQZVNGH-UHFFFAOYSA-N
SMILES:
O=C(NCC(=O)OCc1ccccc1)CCNC(=O)OCc1ccccc1
NSC Number:
164071

Properties

Complexity:
471  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.153g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
370.405g/mol
Monoisotopic Mass:
370.153g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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