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115723-00-7 | Alanine, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-2-methyl-
CAS No: 115723-00-7 Catalog No: AG000GSN MDL No:
Product Description
Catalog Number:
AG000GSN
Chemical Name:
Alanine, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-2-methyl-
CAS Number:
115723-00-7
Molecular Formula:
C18H26N2O5
Molecular Weight:
350.4094
IUPAC Name:
2-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoic acid
InChI:
InChI=1S/C18H26N2O5/c1-17(2,3)25-16(24)19-13(11-12-9-7-6-8-10-12)14(21)20-18(4,5)15(22)23/h6-10,13H,11H2,1-5H3,(H,19,24)(H,20,21)(H,22,23)/t13-/m0/s1
InChI Key:
QVCGUYBICLKBMF-ZDUSSCGKSA-N
SMILES:
O=C([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)NC(C(=O)O)(C)C
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
350.184g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
350.415g/mol
Monoisotopic Mass:
350.184g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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