CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CCCCl)C(C)C)C(=O)N[C@@H](CCSC)C(=O)OC
이름: product
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CCCCl)C(C)C)C(=O)N[C@@H](CCSC)C(=O)OC

Molecular Processing

Molecular formula
C21H38ClN3O5S
Molecular weight
480.07
Exact mass
479.2221
XLogP
2.09
TPSA
113.6
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
15
Heavy atoms
31
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.81
Molar refractivity
125.05

Supplementary Information

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