CAS No.4666-16-4,Z-GLU(OTBU)-OSU Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4666-16-4
Name:	Z-GLU(OTBU)-OSU
Article Data:	4

Formula:	C₂₁H₂₆N₂O₈
Molecular Weight:	434.446
Synonyms:	5-tert-Butyl 1-(2,5-dioxopyrrolidin-1-yl) N-[(benzyloxy)carbonyl]-L-glutamate;5-O-tert-Butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-(phenylmethoxycarbonylamino)pentanedioate;
EINECS:	225-111-3
Density:	1.29 g/cm³
Melting Point:	105-107 °C
Safety:	22-24/25
PSA:	128.31000
LogP:	2.33930

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Specification

The L-Glutamic acid,N-[(phenylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl)1-(2,5-dioxo-1-pyrrolidinyl) ester, with the CAS registry number 4666-16-4, is also known as 5-tert-Butyl 1-(2,5-dioxopyrrolidin-1-yl) N-[(benzyloxy)carbonyl]-L-glutamate. It belongs to the product categoriy of Amino Acid Derivatives. Its EINECS registry number is 225-111-3. The molecular formula of this chemical is C₂₁H₂₆N₂O₈ and molecular weight is 434.4397. What's more, its IUPAC name is 5-O-tert-Butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-(phenylmethoxycarbonylamino)pentanedioate. When you are dealing with this chemical, you should be very careful. Do not breathe dust and avoid contacting with skin and eyes.

Physical properties about L-Glutamic acid,N-[(phenylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl)1-(2,5-dioxo-1-pyrrolidinyl) ester are: (1)ACD/LogP: 1.91; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.59; (6)ACD/BCF (pH 7.4): 16.57; (7)ACD/KOC (pH 5.5): 259.9; (8)ACD/KOC (pH 7.4): 259.62; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 119.52 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 107.49 cm³; (15)Molar Volume: 334.2 cm³; (16)Polarizability: 42.61×10^-24 cm³; (17)Surface Tension: 55.1 dyne/cm; (18)Density: 1.29 g/cm³; (19)Melting Point: 105-107 °C; (20)Storage temperature: −20 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2N(OC(=O)[C@@H](NC(=O)OCc1ccccc1)CCC(=O)OC(C)(C)C)C(=O)CC2
(2) InChI: InChI=1/C21H26N2O8/c1-21(2,3)30-18(26)12-9-15(19(27)31-23-16(24)10-11-17(23)25)22-20(28)29-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,22,28)/t15-/m0/s1
(3) InChIKey: FWRRURPRGINXSY-HNNXBMFYBI