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2448-58-0 | L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-
CAS No: 2448-58-0 Catalog No: AG002OAB MDL No:
Product Description
Catalog Number:
AG002OAB
Chemical Name:
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-
CAS Number:
2448-58-0
Molecular Formula:
C17H24N2O5
Molecular Weight:
336.3829
IUPAC Name:
(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C17H24N2O5/c1-11(18-16(23)24-17(2,3)4)14(20)19-13(15(21)22)10-12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,18,23)(H,19,20)(H,21,22)/t11-,13-/m0/s1
InChI Key:
VAMUDINSUBSTNS-AAEUAGOBSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
336.169g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
336.388g/mol
Monoisotopic Mass:
336.169g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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