CCC(=O)c1csc(NC(=O)[C@H]([C@@H](C)c2ccccc2)N2C(=O)N[C@H](c3ccc(OC)cc3)C2=O)n1
Name: (2S,3S)-2-amino-3-phenyl-N-(4-propionyl-thiazol-2-yl)-butyramide
SMILES: CCC(=O)c1csc(NC(=O)[C@H]([C@@H](C)c2ccccc2)N2C(=O)N[C@H](c3ccc(OC)cc3)C2=O)n1

Molecular Processing

Molecular formula
C26H26N4O5S
Molecular weight
506.58
Exact mass
506.1624
XLogP
4.15
TPSA
117.7
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
135.12

Supplementary Information

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Involved in 3 reactions→

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