COC(=O)[C@H](Cc1ccc(-c2ccc(C3CCCCC3)cc2)cc1)NC(=O)c1cc(Cl)ccc1N
Name: methyl (2S)-2-[(2-amino-5-chlorobenzoyl)amino]-3-[4-(4-cyclohexylphenyl)phenyl]propanoate
SMILES: COC(=O)[C@H](Cc1ccc(-c2ccc(C3CCCCC3)cc2)cc1)NC(=O)c1cc(Cl)ccc1N

Molecular Processing

Molecular formula
C29H31ClN2O3
Molecular weight
491.03
Exact mass
490.2023
XLogP
6.15
TPSA
81.42
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
140.54

Supplementary Information

InChIKey: BCORZKNNQDOZJZ-MHZLTWQESA-N
Synonyme
SCHEMBL5926515BCORZKNNQDOZJZ-MHZLTWQESA-N(2S) -(2-amino-5-chloro-benzoylamino)-3-(4'-cyclohexyl-biphenyl-4-yl)propionic acid methyl ester(2S)-(2-Amino-5-chloro-benzoylamino)-3-(4'-cyclohexyl-biphenyl-4-yl)propionic acid methyl ester
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