CCOC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=S)NC(C)(C)C
Name: ethyl (2S)-6-{[(benzyloxy)-carbonyl]amino}-2-{[(tert-butylamino)carbothioyl]-amino}hexanoate
SMILES: CCOC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=S)NC(C)(C)C

Molecular Processing

Molecular formula
C21H33N3O4S
Molecular weight
423.58
Exact mass
423.2192
XLogP
3.28
TPSA
88.69
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
29
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
117.52

Supplementary Information

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Involved in 4 reactions→

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