CC(C)[C@H](NC(=O)N(C)Cc1csc(NC(=O)OC(C)(C)C)n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1csc(NC(=O)OC(C)(C)C)n1)C(C)C
名称: resultant compound
SMILES: CC(C)[C@H](NC(=O)N(C)Cc1csc(NC(=O)OC(C)(C)C)n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1csc(NC(=O)OC(C)(C)C)n1)C(C)C

Molecular Processing

Molecular formula
C50H72N10O10S2
Molecular weight
1037.32
Exact mass
1036.4874
XLogP
6.5
TPSA
265.78
H-bond donors
8
H-bond acceptors
14
Rotatable bonds
21
Heavy atoms
72
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
22
Covalent units
1
Fraction Csp3
0.52
Molar refractivity
277.36

Supplementary Information

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