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15027-03-9 | L-Phenylalanine, N-[(phenylmethoxy)carbonyl]glycylglycyl-, methyl ester
CAS No: 15027-03-9 Catalog No: AG001MH1 MDL No:
Product Description
Catalog Number:
AG001MH1
Chemical Name:
L-Phenylalanine, N-[(phenylmethoxy)carbonyl]glycylglycyl-, methyl ester
CAS Number:
15027-03-9
Molecular Formula:
C22H25N3O6
Molecular Weight:
427.4504
IUPAC Name:
methyl 3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoate
InChI:
InChI=1S/C22H25N3O6/c1-30-21(28)18(12-16-8-4-2-5-9-16)25-20(27)14-23-19(26)13-24-22(29)31-15-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3,(H,23,26)(H,24,29)(H,25,27)
InChI Key:
NNOXUJSCVGRRPB-UHFFFAOYSA-N
SMILES:
COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)OCc1ccccc1
NSC Number:
169136
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.174g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
427.457g/mol
Monoisotopic Mass:
427.174g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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