CAS: 116387-21-4
名称: diethyl (2S)-2-[(4-iodobenzoyl)amino]pentanedioate
SMILES:
CCOC(=O)CC[C@H](NC(=O)c1ccc(I)cc1)C(=O)OCCMolecular Processing
Molecular formula
C16H20INO5
Molecular weight
433.24
Exact mass
433.0386
XLogP
2.3
TPSA
81.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
92.91
Supplementary Information
InChIKey: RQYOVSAJDTUHDE-ZDUSSCGKSA-N
同義語
116387-21-4diethyl (2S)-2-[(4-iodobenzoyl)amino]pentanedioate1,5-diethyl (2S)-2-[(4-iodophenyl)formamido]pentanedioatediethyl 4-iodobenzoylglutamateL-Glutamic acid, N-(4-iodobenzoyl)-, diethyl esterSCHEMBL6308177RQYOVSAJDTUHDE-ZDUSSCGKSA-Ndiethyl N-(4-iodobenzoyl)glutamateDiethyl N-(4-iodobenzoyl)-L-glutamateN-4-iodobenzoyl-L-glutamic acid diethyl ester
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