N-Cbz-L-Phenylalanine

(2S)-2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoic acid (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid (S)-2-(Benzyloxycarbonylamino)-3-phenylpropanoic acid (S)-2-(Benzyloxycarbonylamino)-3-phenylpropanoicacid BOC-PHE (N-BENZYLOXYCARBONYL)-L-PHENYLALANINE CBZ-L-PHENYLALAINE CBZ-L-Phenylalanine CBZ-L-PHENYLALANINE-OH CBZ-L-Phe-OH EINECS 214-599-3 L-Phenylalanine, N-[(phenylmethoxy)carbonyl]- MFCD00020418 N-(Carbobenzyloxy)-L-phenylalanine N-[(Benzyloxy)carbonyl]phenylalanine n-benzyloxycarbonyl-1-phenylalanine N-benzyloxycarbonyl-L-3-phenylalanine N-Benzyloxycarbonyl-L-phnylalanine N-Carbobenzoxy-L-phenylalanine N-carbobenzyloxy-dl-phenylalanine N-Carbobenzyloxy-L-phenylalanine N-CBZ-L-PHENYLALANINE CRYSTALLINE Phenylalanine, N-[(phenylmethoxy)carbonyl]- Z-L-Phenylalanine Z-Phe-OH

The IUPAC name of?Carbobenzoxyphenylalanine is?3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid?. With the?CAS registry number 1161-13-3, it is also named as?(Benzyloxycarbonyl)phenylalanine ; Carbobenzoxy-L-phenylalanine ; L-N-Carboxy-3-phenylalanine N-benzyl ester ; N-((Phenylmethoxy)carbonyl)-L-phenylalanine ; N-Carbobenzoxy-L-phenylalanine ; Alanine, N-carboxy-3-phenyl-, N-benzyl ester, L- .

The Carbobenzoxyphenylalanine is white amorphous powder?which should be stored at RT.?When heated to decomposition it emits toxic fumes of NO_x.?This product?can be used for protein and peptide synthesis, etc.,?and widely used in medicine, biochemistry, food, cosmetics and other products synthesis. It is harmful by inhalation, in contact with skin and if swallowed.?And it is irritating to eyes, respiratory system and skin.?Risk of impaired fertility.?So people?should not breathe dust and avoid contact with skin and eyes.?In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?If you want to contact this product, you must wear suitable protective clothing.

The other characteristics of this product can be summarized as:?(1)ACD/LogP: 3.58 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.49 ; (4)ACD/LogD (pH 7.4): 0.02 ; (5)ACD/BCF (pH 5.5): 2.52 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 17.21 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 5 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 7 ; (12)Index of Refraction: 1.591 ; (13)Molar Refractivity: 81.08 cm³ ; (14)Molar Volume: 239.7 cm³ ; (15)Polarizability: 32.14×10^-24 cm³ ; (16)Surface Tension: 53 dyne/cm ; (17)Enthalpy of Vaporization: 82.38 kJ/mol ; (18)Vapour Pressure: 2.76E-11 mmHg at 25°C ; (19)Rotatable Bond Count: 7 ; (20)Tautomer Coun: 2 ; (21)Exact Mass: 299.115758 ; (22)MonoIsotopic Mass: 299.115758 ; (23)Topological Polar Surface Area: 75.6 ; (24)Heavy Atom Count: 22..

People can use the following data to convert to the molecule structure.?SMILES: O=C(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2;?InChI: InChI=1/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).??

The following is the toxicity data which has been tested.

CHEMICAL IDENTIFICATION

RTECS NUMBER :

AY4343000

CHEMICAL NAME :

Alanine, N-carboxy-3-phenyl-, N-benzyl ester, L-

CAS REGISTRY NUMBER :

1161-13-3

LAST UPDATED :

199206

DATA ITEMS CITED :

4

MOLECULAR FORMULA :

C17-H17-N-O4

MOLECULAR WEIGHT :

299.35

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

251 mg/kg

TOXIC EFFECTS :

Tumorigenic - active as anti-cancer agent

REFERENCE :

JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 67,1726,1978

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravaginal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

250 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 68,696,1979 ** REPRODUCTIVE DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

280 mg/kg

SEX/DURATION :

female 28 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)

REFERENCE :

JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 68,696,1979

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intravaginal

DOSE :

280 mg/kg

SEX/DURATION :

female 28 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)

REFERENCE :

JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 68,696,1979