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88170-93-8 | L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-mercapto-
CAS No: 88170-93-8 Catalog No: AG004CKX MDL No:
Product Description
Catalog Number:
AG004CKX
Chemical Name:
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-mercapto-
CAS Number:
88170-93-8
Molecular Formula:
C14H19NO4S
Molecular Weight:
297.3700
IUPAC Name:
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfanylphenyl)propanoic acid
InChI:
InChI=1S/C14H19NO4S/c1-14(2,3)19-13(18)15-11(12(16)17)8-9-4-6-10(20)7-5-9/h4-7,11,20H,8H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChI Key:
HTJUIVWAFJEXGZ-NSHDSACASA-N
SMILES:
OC(=O)[C@H](Cc1ccc(cc1)S)NC(=O)OC(C)(C)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
297.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
297.369g/mol
Monoisotopic Mass:
297.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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