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113969-18-9 | L-Phenylalanine, N-[N,N-bis(carboxymethyl)glycyl]- (9CI)
CAS No: 113969-18-9 Catalog No: AG000A79 MDL No:
Product Description
Catalog Number:
AG000A79
Chemical Name:
L-Phenylalanine, N-[N,N-bis(carboxymethyl)glycyl]- (9CI)
CAS Number:
113969-18-9
Molecular Formula:
C15H18N2O7
Molecular Weight:
338.3126
IUPAC Name:
2-[[2-[bis(carboxymethyl)amino]acetyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C15H18N2O7/c18-12(7-17(8-13(19)20)9-14(21)22)16-11(15(23)24)6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,18)(H,19,20)(H,21,22)(H,23,24)
InChI Key:
OLMVBTIXZKJDST-UHFFFAOYSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccccc1)CN(CC(=O)O)CC(=O)O
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
338.316g/mol
Monoisotopic Mass:
338.111g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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