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N-Benzyloxycarbonyl-O-benzoyl Aspartame-[d5]

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General Information
Catalog: BLP-013731
CAS: 1356011-62-5
Molecular Formula: C29H25D5N2O7
Molecular Weight: 523.59

Chemical Structure

Description	N-Benzyloxycarbonyl-O-benzoyl Aspartame-[d5] is the labelled analogue of N-Benzyloxycarbonyl-O-benzoyl Aspartame, which is a derivative of Aspartame.
Synonyms	N-Benzyloxycarbonyl-O-benzoyl Aspartame-d5; β-Benzyl-N-carbobenzoxy-L-aspartyl-L-phenylalanine-d5 Methyl Ester; β-Benzyl N-Benzyloxycarbonyl-L-aspartyl-L-phenylalanine-d5 Methyl Ester; 3-(Carboxyamino)-N-(α-carboxyphenethyl)succinamic Acid-d5 Dibenzyl Methyl Ester
IUPAC Name	benzyl (3S)-4-[[(2S)-1-methoxy-1-oxo-3-(2,3,4,5,6-pentadeuteriophenyl)propan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
Related CAS	5262-07-7 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])C[C@@H](C(=O)OC)NC(=O)[C@H](CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)[2H])[2H]
Canonical SMILES	COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI	InChI=1S/C29H30N2O7/c1-36-28(34)25(17-21-11-5-2-6-12-21)30-27(33)24(18-26(32)37-19-22-13-7-3-8-14-22)31-29(35)38-20-23-15-9-4-10-16-23/h2-16,24-25H,17-20H2,1H3,(H,30,33)(H,31,35)/t24-,25-/m0/s1/i2D,5D,6D,11D,12D
InChI Key	IVJGBERAZUMDJM-BQZIMWMRSA-N
Purity	98%
Solubility	Soluble in Chloroform, Dichloromethane, Methanol
Appearance	White Solid