CAS 1161-13-3|CAS 2448-45-5|N-CBZ-L-PHENYLALANINE|(2S)-2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoic acid|carbobenzoxyphenylalanine|Z-Phe-OH|(2S)-2-{[(Benzyloxy)carbonyl]amino}-3-phenylpropanoic ...

General Information

Structure

Molecular Formula

C₁₇H₁₇NO₄

Molecular Mass

299.32118

Exact Mass

299.11575803

Charge

InChI

InChI=1S/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1

InChIKey

RRONHWAVOYADJL-HNNXBMFYSA-N

Canonic Smiles

O=C(N[C@H](C(=O)O)Cc1ccccc1)OCc1ccccc1

Isomeric Smiles

N([C@@H](Cc1ccccc1)C(=O)O)C(=O)OCc1ccccc1

Calculated Properties

JChem

Acid pKa

3.8783662

H Acceptors

H Donor

LogD (pH = 5.5)

1.6136721

LogD (pH = 7.4)

0.0155921485

Log P

3.2402258

Molar Refractivity

80.7963

Polarizability

31.54406

Polar Surface Area

75.63

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

N-CBZ-L-PHENYLALANINEZ-Phe-OH(2S)-2-{[(Benzyloxy)carbonyl]amino}-3-phenylpropanoic acidN-[(Benzyloxy)carbonyl]-L-phenylalanineL-Phenylalanine, N-CBZ protectedZ-D-Phe-OHN-苄氧羰基-D-苯基丙氨酸N-Cbz-D-phenylalanineZ-Phe-OHN-(Carbobenzyloxy)-L-phenylalanineZ-L-苯丙氨酸Z-L-PhenylalanineN-(苄氧羰基)-L-苯丙氨酸(S)-2-(Benzyloxycarbonylamino)-3-phenylpropanoic acidN-Benzyloxycarbonyl-D-phenylalanineN-Benzyloxycarbonyl-L-phenylalanineN-Cbz-L-phenylalanineN-苄氧羰基-L-苯基丙氨酸

IUPAC name

(2S)-2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoic acid

IUPAC Traditional name

carbobenzoxyphenylalanine

Names and Identifiers

Registration numbers

CAS Number

1161-13-32448-45-5

MDL Number

MFCD00020418MFCD00063151

Beilstein Number

22228262817463