CC(C)C(C(=O)NCC(CP(=O)(CC1CCCCC1)OCC2=CC=CC=C2)O)N.Cl
Name: (2S)-2-amino-N-[(2R)-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]-2-hydroxypropyl]-3-methylbutanamide;hydrochloride
SMILES: CC(C)C(C(=O)NCC(CP(=O)(CC1CCCCC1)OCC2=CC=CC=C2)O)N.Cl

Molecular Processing

Molecular formula
C22H38ClN2O4P
Molecular weight
460.98
Exact mass
460.2258
XLogP
3.94
TPSA
101.65
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
30
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.682
Molar refractivity
124.22

Supplementary Information

InChIKey: FNEAOUNWXSKPBZ-DOXOHAICSA-N
Synonyme
SCHEMBL3383505FNEAOUNWXSKPBZ-DOXOHAICSA-N[(r)-3-((s)-2-amino-3-methyl-butyrylamino)-2-hydroxy-propyl]-cyclohexylmethyl-phosphinic acid benzyl ester hydrochloride
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