Name: acid
SMILES:
C[C@@H]1C[C@@H](C(=O)OC[C@H](NC(=O)OCc2ccccc2)C(=O)O)N(C(=O)[C@H](C)NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1Molecular Processing
Molecular formula
C36H51N5O11
Molecular weight
729.83
Exact mass
729.3585
XLogP
2.43
TPSA
201.19
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
52
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.639
Molar refractivity
184.35
Supplementary Information
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Involved in 2 reactions→