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144345-57-3

144345-57-3 | L-Alanine, N-[N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanyl]- (9CI)

CAS No: 144345-57-3 Catalog No: AG001JDI MDL No:

Product Description

Catalog Number:
AG001JDI
Chemical Name:
L-Alanine, N-[N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanyl]- (9CI)
CAS Number:
144345-57-3
Molecular Formula:
C17H24N2O5
Molecular Weight:
336.3829
IUPAC Name:
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoic acid
InChI:
InChI=1S/C17H24N2O5/c1-11(15(21)22)18-14(20)13(10-12-8-6-5-7-9-12)19-16(23)24-17(2,3)4/h5-9,11,13H,10H2,1-4H3,(H,18,20)(H,19,23)(H,21,22)
InChI Key:
LDHNMIZCPRNASW-UHFFFAOYSA-N
SMILES:
C[C@@H](C(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

Properties

Complexity:
452  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.169g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
336.388g/mol
Monoisotopic Mass:
336.169g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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