CC(C)CC(C(=O)NC1=NN(C=C1)CC2COC(N2C(=O)OC(C)(C)C)(C)C)N3CC(=CC3=O)OC4=CC=CC=C4Cl
Name: tert-butyl (4R)-4-[[3-[[(2S)-2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methylpentanoyl]amino]pyrazol-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILES: CC(C)CC(C(=O)NC1=NN(C=C1)CC2COC(N2C(=O)OC(C)(C)C)(C)C)N3CC(=CC3=O)OC4=CC=CC=C4Cl

Molecular Processing

Molecular formula
C30H40ClN5O6
Molecular weight
602.13
Exact mass
601.2667
XLogP
5.07
TPSA
115.23
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
42
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
157.87

Supplementary Information

InChIKey: QSECQAUVRWUIDF-OFNKIYASSA-N
Synonyme
SCHEMBL1067138QSECQAUVRWUIDF-OFNKIYASSA-N(R)-4-(3-{(S)-2-[4-(2-chloro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-pentanoylamino}-pyrazol-1-ylmethyl)-2,2-dimethyl-oxazolidin-3-carboxylic acid t-butyl ester
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