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125511-90-2 | D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanyl-
CAS No: 125511-90-2 Catalog No: AG000NST MDL No:
Product Description
Catalog Number:
AG000NST
Chemical Name:
D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanyl-
CAS Number:
125511-90-2
Molecular Formula:
C23H28N2O5
Molecular Weight:
412.4788
IUPAC Name:
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C23H28N2O5/c1-23(2,3)30-22(29)25-18(14-16-10-6-4-7-11-16)20(26)24-19(21(27)28)15-17-12-8-5-9-13-17/h4-13,18-19H,14-15H2,1-3H3,(H,24,26)(H,25,29)(H,27,28)
InChI Key:
NNOBHAOOLCEJBL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(=O)N[C@@H](C(=O)O)Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.2g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
412.486g/mol
Monoisotopic Mass:
412.2g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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