CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)N1CCCC1=O)C(=O)N[C@@H](CCSC)C(=O)O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)N1CCCC1=O)C(=O)N[C@@H](CCSC)C(=O)O

Molecular Processing

Molecular formula
C20H35N3O5S
Molecular weight
429.58
Exact mass
429.2297
XLogP
1.49
TPSA
115.81
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
29
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
113.52

Supplementary Information

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