5-(Phenylmethyl) Hydrogen N-[(Phenylmethoxy)Carbonyl]-D-Glutamate

CAS: 59486-73-6 | C20H21NO6

Loading 3D structure...

CAS Registry Number: 59486-73-6

Molecular Formula: C20H21NO6

Molecular Mass: 371.39 g/mol

5-(Phenylmethyl) Hydrogen N-[(Phenylmethoxy)Carbonyl]-D-Glutamate

D-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 5-(phenylmethyl) ester

5-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-D-glutamate

N-Carbobenzoxy-D-glutamic acid γ-benzyl ester

(2R)-5-Oxo-5-phenylmethoxy-2-(phenylmethoxycarbonylamino)pentanoic acid

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

InChI=1S/C20H21NO6/c22-18(26-13-15-7-3-1-4-8-15)12-11-17(19(23)24)21-20(25)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,25)(H,23,24)/t17-/m1/s1

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	371.39 g/mol	CAS Common Chemistry
	371.3890000000001 g/mol	RDKit
	371.136887392 g/mol	RDKit
Canonical SMILES	O=C(OCC=1C=CC=CC1)NC(C(=O)O)CCC(=O)OCC=2C=CC=CC2	CAS Common Chemistry
InChI	InChI=1S/C20H21NO6/c22-18(26-13-15-7-3-1-4-8-15)12-11-17(19(23)24)21-20(25)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,25)(H,23,24)/t17-/m1/s1	CAS Common Chemistry
InChI Key	InChIKey=TWIVXHQQTRSWGO-QGZVFWFLSA-N	CAS Common Chemistry
Name	5-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-D-glutamate	CAS Common Chemistry
Heavy Atom Count	27	RDKit
Hydrogen Bond Acceptors	5	RDKit
Hydrogen Bond Donors	2	RDKit
Rotatable Bonds	9	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	105.42000000000002 Å²	RDKit
LogP	3.094000000000001	RDKit
Molar Refractivity	98.19060000000005	RDKit