CCOC(=O)C(NCCCNC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)O)[C@@H](O)[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
SMILES: CCOC(=O)C(NCCCNC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)O)[C@@H](O)[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Molecular Processing

Molecular formula
C32H43N5O14
Molecular weight
721.72
Exact mass
721.2807
XLogP
-1.64
TPSA
262.91
H-bond donors
6
H-bond acceptors
15
Rotatable bonds
17
Heavy atoms
51
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
8
Undefined stereo
1
Formal charge
0
Heteroatoms
19
Covalent units
1
Fraction Csp3
0.531
Molar refractivity
173.63

Supplementary Information

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