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131222-34-9 | L-Phenylalanine, N-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-
CAS No: 131222-34-9 Catalog No: AG000VRO MDL No:
Product Description
Catalog Number:
AG000VRO
Chemical Name:
L-Phenylalanine, N-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-
CAS Number:
131222-34-9
Molecular Formula:
C16H24N2O4
Molecular Weight:
308.3728
IUPAC Name:
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-phenylpropanoic acid
InChI:
InChI=1S/C16H24N2O4/c1-16(2,3)22-15(21)18-10-9-17-13(14(19)20)11-12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3,(H,18,21)(H,19,20)
InChI Key:
DVFWBCFRAMYNNM-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](Cc1ccccc1)NCCNC(=O)OC(C)(C)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
308.378g/mol
Monoisotopic Mass:
308.174g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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