COC(=O)N[C@H](C(=O)N[C@H](Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1)C(C)(C)C
이름: product
SMILES: COC(=O)N[C@H](C(=O)N[C@H](Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1)C(C)(C)C

Molecular Processing

Molecular formula
C31H40N4O4
Molecular weight
532.69
Exact mass
532.305
XLogP
3.87
TPSA
126.57
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
39
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.387
Molar refractivity
152.84

Supplementary Information

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