CAS 1164-16-5|(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoic acid|(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoic acid|N-CARBOBENZOXY-L-TYROSINE|(S)-2-(((Benzyloxy...

General Information

Structure

Molecular Formula

C₁₇H₁₇NO₅

Molecular Mass

315.32058

Exact Mass

315.11067265

Charge

InChI

InChI=1S/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/t15-/m0/s1

InChIKey

MCRMUCXATQAAMN-HNNXBMFYSA-N

Canonic Smiles

O=C(N[C@H](C(=O)O)Cc1ccc(cc1)O)OCc1ccccc1

Isomeric Smiles

OC(=O)[C@@H](NC(=O)OCc1ccccc1)Cc1ccc(cc1)O

Calculated Properties

JChem

Acid pKa

3.6424954

H Acceptors

H Donor

LogD (pH = 5.5)

1.082272

LogD (pH = 7.4)

-0.3944529

Log P

2.9366605

Molar Refractivity

82.7772

Polarizability

32.17228

Polar Surface Area

95.86

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

N-CARBOBENZOXY-L-TYROSINE(S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acidN-CBZ-L-TYROSINEN-Benzyloxycarbonyl-L-Tyrosine(S)-N-(benzyloxycarbonyl)tyrosineN-Benzyloxycarbonyl-L-tyrosineN-苄氧羰基-L-酪氨酸Z-Tyr-OHN-Cbz-L-tyrosineL-Tyrosine, N-CBZ protected

IUPAC Traditional name

(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoic acid

IUPAC name

(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoic acid

Names and Identifiers

Registration numbers

CAS Number

1164-16-5

MDL Number

MFCDN/AN/AN/A3718N/AMFCD00037180

EC Number

214-609-6