Name: (2S)-2-(1-adamantylmethoxycarbonylamino)-3-((5-(2-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)-ethyl)-thiophene-2-carbonyl)-amino)-propionic acid
SMILES:
O=C(CCc1ccc(C(=O)NC[C@H](NC(=O)OCC23CC4CC(CC(C4)C2)C3)C(=O)O)s1)NC1=NCCCN1Molecular Processing
Molecular formula
C27H37N5O6S
Molecular weight
559.69
Exact mass
559.2465
XLogP
2.27
TPSA
158.22
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
39
Rings
6
Aromatic rings
1
Saturated rings
4
Aliphatic rings
5
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
144.55
Supplementary Information
Details werden geladen…
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