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CAS No.: | 50305-28-7 |
---|---|
Name: | Z-TRP-OSU |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C23H21N3O6 |
Molecular Weight: | 435.436 |
Synonyms: | 2,5-Dioxopyrrolidin-1-yl N-[(benzyloxy)carbonyl]-L-tryptophanate; |
Density: | 1.425 g/cm3 |
Melting Point: | 64 °C |
PSA: | 117.80000 |
LogP: | 2.94140 |
The L-Tryptophan,N-[(phenylmethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester, with the CAS registry number 50305-28-7, is also known as 2,5-Dioxopyrrolidin-1-yl N-[(benzyloxy)carbonyl]-L-tryptophanate. This chemical's molecular formula is C23H21N3O6 and molecular weight is 435.4293. In addition, it should be stored at temperature of -15 °C.
Physical properties about L-Tryptophan,N-[(phenylmethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester are: (1)ACD/LogP: 1.83; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 21; (6)ACD/BCF (pH 7.4): 21; (7)ACD/KOC (pH 5.5): 310; (8)ACD/KOC (pH 7.4): 310; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 117.8 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 114.039 cm3; (15)Molar Volume: 305.529 cm3; (16)Polarizability: 45.208×10-24 cm3; (17)Surface Tension: 71.609 dyne/cm; (18)Density: 1.425 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C4N(OC(=O)[C@@H](NC(=O)OCc1ccccc1)Cc3c2ccccc2nc3)C(=O)CC4
(2) InChI: InChI=1/C23H21N3O6/c27-20-10-11-21(28)26(20)32-22(29)19(12-16-13-24-18-9-5-4-8-17(16)18)25-23(30)31-14-15-6-2-1-3-7-15/h1-9,13,19,24H,10-12,14H2,(H,25,30)/t19-/m0/s1
(3) InChIKey: PLMKYGHASWACNG-IBGZPJMEBE