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82653-02-9 | D-Phenylalaninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-
CAS No: 82653-02-9 Catalog No: AG005CE0 MDL No:
Product Description
Catalog Number:
AG005CE0
Chemical Name:
D-Phenylalaninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-
CAS Number:
82653-02-9
Molecular Formula:
C23H29N3O4
Molecular Weight:
411.4941
IUPAC Name:
tert-butyl N-[(2S)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
InChI:
InChI=1S/C23H29N3O4/c1-23(2,3)30-22(29)26-19(15-17-12-8-5-9-13-17)21(28)25-18(20(24)27)14-16-10-6-4-7-11-16/h4-13,18-19H,14-15H2,1-3H3,(H2,24,27)(H,25,28)(H,26,29)/t18-,19+/m1/s1
InChI Key:
LRRMIZSGLAPKAB-MOPGFXCFSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)N[C@@H](C(=O)N)Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
411.216g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
411.502g/mol
Monoisotopic Mass:
411.216g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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