CAS 144163-85-9|tert-butyl N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate|[(1S,3S,4S)-4-Amino-3-hydroxy-5-phenyl-1-(phenyl-methyl)pentyl]carbamic acid 1,1-dimethyl ethyl ester|tert...

General Information

Structure

Molecular Formula

C₂₃H₃₂N₂O₃

Molecular Mass

384.51178

Exact Mass

384.24129289

Charge

InChI

InChI=1S/C23H32N2O3/c1-23(2,3)28-22(27)25-19(14-17-10-6-4-7-11-17)16-21(26)20(24)15-18-12-8-5-9-13-18/h4-13,19-21,26H,14-16,24H2,1-3H3,(H,25,27)/t19-,20-,21-/m0/s1

InChIKey

UKFHOTNATOJBKZ-ACRUOGEOSA-N

Canonic Smiles

O=C(OC(C)(C)C)N[C@H](C[C@@H]([C@H](Cc1ccccc1)N)O)Cc1ccccc1

Isomeric Smiles

C(=O)(N[C@H](C[C@@H]([C@H](Cc1ccccc1)N)O)Cc1ccccc1)OC(C)(C)C

Calculated Properties

JChem

Acid pKa

14.443054

H Acceptors

H Donor

LogD (pH = 5.5)

0.70471585

LogD (pH = 7.4)

1.9039962

Log P

3.6450822

Molar Refractivity

111.6451

Polarizability

44.155693

Polar Surface Area

84.58

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

tert-butyl N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate

IUPAC name

tert-butyl N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate

Synonyms

[(1S,3S,4S)-4-Amino-3-hydroxy-5-phenyl-1-(phenyl-methyl)pentyl]carbamic acid 1,1-dimethyl ethyl estertert-Butyl ((2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamateN-[(1S,3S,4S)-1-Benzyl-3-hydroxy-5-phenyl-4-aminopentyl]carbamic Acid tert-Butyl Ester(2S,3S,5S)-2-Amino-3-hydroxy-5-(tert-butyloxycarbonylamino)-1,6-diphenylhexaneN-[(1S,3S,4S)-4-Amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]carbamic Acid 1,1-Dimethylethyl Ester

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

CAS Number

MDL Number

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Properties