CCC(=O)C1=CSC(=N1)NC(=O)C(C(C)C2=CC=CC=C2)NC(=O)C(C3=CC=C(C=C3)OCCN4CCCCC4)N
Название: (2S,3S)-2-[[(2R)-2-amino-2-[4-(2-piperidin-1-ylethoxy)phenyl]acetyl]amino]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide
SMILES: CCC(=O)C1=CSC(=N1)NC(=O)C(C(C)C2=CC=CC=C2)NC(=O)C(C3=CC=C(C=C3)OCCN4CCCCC4)N

Molecular Processing

Molecular formula
C31H39N5O4S
Molecular weight
577.75
Exact mass
577.2723
XLogP
4.53
TPSA
126.65
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
41
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.419
Molar refractivity
161.31

Supplementary Information

InChIKey: JWJXRRAZULDPOP-TXQOIQMMSA-N
Синонимы
SCHEMBL4687538JWJXRRAZULDPOP-TXQOIQMMSA-N(2S,3S)-2-{(R)-2-amino-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-acetylamino}-3-phenyl-N-(4-propionyl-thiazol-2-yl)-butyramide
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