CCC1=C(N=C(N1)C(=O)NC2CCN(CC2OCC)C3=NC(=C(S3)C(=O)OCC)C(=O)O)Cl
이름: 2-[(3R,4S)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-ethoxypiperidin-1-yl]-5-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid
SMILES: CCC1=C(N=C(N1)C(=O)NC2CCN(CC2OCC)C3=NC(=C(S3)C(=O)OCC)C(=O)O)Cl

Molecular Processing

Molecular formula
C20H26ClN5O6S
Molecular weight
499.98
Exact mass
499.1292
XLogP
2.37
TPSA
146.74
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
121.5

Supplementary Information

InChIKey: XEOVGQKXEVQJPS-NWDGAFQWSA-N
동의어
XEOVGQKXEVQJPS-NWDGAFQWSA-Ncis(+/-)-2-(4-{[(4-Chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-ethoxypiperidin-1-yl)-5-(ethoxycarbonyl)-1,3-thiazole-4-carboxylic acid
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