Название: tert-butyl (2S)-2-[[4-(4-aminophenyl)phenyl]sulfonylamino]-3-methylbutanoate

SMILES: CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(N)cc2)cc1)C(=O)OC(C)(C)C

Molecular Processing

Molecular formula

C21H28N2O4S

Molecular weight

404.53

Exact mass

404.177

XLogP

3.58

TPSA

98.49

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.381

Molar refractivity

111.08

Supplementary Information

InChIKey: PDHJZMDKPXNZJF-IBGZPJMESA-N

Синонимы

SCHEMBL3608270PDHJZMDKPXNZJF-IBGZPJMESA-N(S)-2-(4'-amino-biphenyl-4-sulfonylamino)-3-methyl-butyric acid tert-butyl ester