CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)O)O)C(=O)O
CAS: 30033-24-0
Name: (2S)-3-(3,4-dihydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILES: CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)O)O)C(=O)O

Molecular Processing

Molecular formula
C14H19NO6
Molecular weight
297.31
Exact mass
297.1212
XLogP
1.62
TPSA
116.09
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
74.27

Supplementary Information

InChIKey: UJEMVSDPTZRTIL-VIFPVBQESA-N
Synonyme
30033-24-0N-(tert-Buloxycarbonyl)-3,4-dihydroxy-L-phenylalanineN-Boc-3,4-dihydroxy-L-phenylalanineMFCD02682262(S)-2-((tert-Butoxycarbonyl)amino)-3-(3,4-dihydroxyphenyl)propanoic acid(2S)-3-(3,4-dihydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidBoc-DOPABoc-L-DOPAN-Boc-DOPAN-Boc-(L)-DopaN-(tert-butoxycarbonyl) DOPASCHEMBL1172086SCHEMBL30829409L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-3-hydroxy-UJEMVSDPTZRTIL-VIFPVBQESA-N(2S)-2-(tert-butoxycarbonylamino)-3-(3,4-dihydroxyphenyl)propanoic acid(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(3,4-dihydroxyphenyl)propanoic acidAKOS010397601AKOS015836503FN167938SY234174N-Boc-3-(3,4-dihydroxyphenyl)-L-alanineCS-0372639EN300-52849Y13638F759652(S)-N-(1,1-dimethylethoxy)carbonyl-3-hydroxy-L-tyrosineN-(tertbutoxycarbonyl)-3-(3,4-dihydroxyphenyl)-L-alanine(2S)-3-(3,4-dihydroxyphenyl)-2-[(tert-butoxy)carbonylamino]propanoic acid
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