C1=CC=C(C=C1)COC(=O)CC(C(=O)O)N
CAS: 2177-63-1
Name: (2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid
SMILES: C1=CC=C(C=C1)COC(=O)CC(C(=O)O)N

Molecular Processing

Molecular formula
C11H13NO4
Molecular weight
223.23
Exact mass
223.0845
XLogP
0.53
TPSA
89.62
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
56.47

Supplementary Information

InChIKey: VGALFAWDSNRXJK-VIFPVBQESA-N
Synonyme
DTXSID1013473194-(Phenylmethyl) hydrogen L-aspartateRefChem:516617DTXCID501776031H-Asp(OBzl)-OH2177-63-1L-Aspartic acid 4-benzyl esterL-Aspartic acid beta-benzyl ester4-Benzyl L-Aspartate(2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acidbeta-Benzyl L-aspartateMFCD00037208(S)-2-Amino-4-(benzyloxy)-4-oxobutanoic acid(2S)-2-amino-4-(benzyloxy)-4-oxobutanoic acidL-Aspartic acid |A-benzyl esterL-Aspartic acid 4-O-benzyl esterZJ9URQ9GF6M03009L-Aspartic acid, 4-(phenylmethyl) esterAsp(Obzl)L-Asp(OBzl)-OH(2S)-2-amino-3-[benzyloxycarbonyl]propanoic acidL-Aspartic acid b-benzyl esterBenzyl hydrogen beta-L-aspartateNSC-524167beta-benzyl aspartateUNII-ZJ9URQ9GF6(2S)-2-azaniumyl-4-oxo-4-phenylmethoxybutanoateSCHEMBL730848.BETA.-BENZYL ASPARTATE
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