CC(=O)O.N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
名称: desmopressin acetate
SMILES: CC(=O)O.N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O

Molecular Processing

Molecular formula
C48H68N14O14S2
Molecular weight
1129.29
Exact mass
1128.4481
XLogP
-4.04
TPSA
472.71
H-bond donors
15
H-bond acceptors
16
Rotatable bonds
19
Heavy atoms
78
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
30
Covalent units
2
Fraction Csp3
0.479
Molar refractivity
284.71

Supplementary Information

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