CC(C)(C)OC(=O)C(CN)NS(=O)(=O)C1=CC=CC=C1.Cl
Nom: tert-butyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride
SMILES: CC(C)(C)OC(=O)C(CN)NS(=O)(=O)C1=CC=CC=C1.Cl

Molecular Processing

Molecular formula
C13H21ClN2O4S
Molecular weight
336.84
Exact mass
336.0911
XLogP
1.06
TPSA
98.49
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.462
Molar refractivity
82.7

Supplementary Information

InChIKey: AFBMHZQUDWEAIW-MERQFXBCSA-N
Synonymes
SCHEMBL6504666AFBMHZQUDWEAIW-MERQFXBCSA-Nt-Butyl 2(S)-Phenylsulfonylamino-3-aminopropionate hydrochloridetert-Butyl 2(S)-Phenylsulfonylamino-3-aminopropionate hydrochloridetert-butyl 3-amino-2(s)-phenylsulfonylaminopropionate hydro-chloridetert-Butyl 3-amino-2(S)-phenylsulfonylaminopropionate hydrochloride(S)-3-amino-2-benzenesulfonylamino-propionic acid tert-butyl ester hydrochloride
Voir la source →
Impliqué dans 23 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→