CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)OCC1=CC=CC=C1
CAS: 30925-18-9
Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid
SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)OCC1=CC=CC=C1

Molecular Processing

Molecular formula
C16H21NO6
Molecular weight
323.34
Exact mass
323.1369
XLogP
2.1
TPSA
101.93
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
23
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
0.438
Molar refractivity
81.65

Supplementary Information

InChIKey: LDRWTKQWSXGSTM-LBPRGKRZSA-N
Synonyme
(3S)-4-(benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid(3S)-4-(benzyloxy)-3-(((tert-butoxy)carbonyl)amino)-4-oxobutanoic acidRefChem:401433685-355-5Boc-Asp-OBzl30925-18-9Boc-L-aspartic acid 1-benzyl esterMFCD00065563N-Boc-L-aspartic Acid 1-Benzyl Ester(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acidBOC-L-ASPARTIC ACID ALPHA-BENZYL ESTER(S)-2-(tert-Butoxycarbonylamino)succinic acid benzyl esterN-(tert-Butoxycarbonyl)-L-aspartic Acid 1-Benzyl Ester(S)-4-(benzyloxy)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoic acidM03269Boc-L-aspartic acid a-benzyl esterBoc-L-Asp-OBzl1-Benzyl N-Boc-L-aspartate(3S)-3-[(tert-butoxy)carbonylamino]-3-[benzyloxycarbonyl]propanoic acidBoc-L-Asp(H)-OBn(3S)-4-(benzyloxy)-3-[(tert-butoxycarbonyl)amino]-4-oxobutanoic acidBoc-aspartic acid benzyl esterSCHEMBL1093029DTXSID90426912CS-B1295HY-Y0028SBB066995AKOS015924100FB34277Boc-Asp-OBzl, >=98.0% (TLC)
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