CC[C@H](C)[C@H](N)CN[C@H](C(=O)OC)[C@H](CSC)C(=O)C1NCCc2ccccc21
SMILES: CC[C@H](C)[C@H](N)CN[C@H](C(=O)OC)[C@H](CSC)C(=O)C1NCCc2ccccc21

Molecular Processing

Molecular formula
C22H35N3O3S
Molecular weight
421.61
Exact mass
421.2399
XLogP
1.93
TPSA
93.45
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
5
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
119.01

Supplementary Information

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