이름: 2-[2-[(2-benzamido-3-methylbutanoyl)amino]propanoylamino]hexanoic acid
SMILES:
CCCCC(C(=O)O)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C1=CC=CC=C1Molecular Processing
Molecular formula
C21H31N3O5
Molecular weight
405.5
Exact mass
405.2264
XLogP
1.71
TPSA
124.6
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
29
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
109.23
Supplementary Information
InChIKey: HPPFVIYHANVFKE-UHFFFAOYSA-N
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