(S)-3-((3,3-Dimethylbutyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid, 99% (contains <5%H2O)

cas: 165450-17-9 — see every product listed under this CAS number, including other names

(S)-3-((3,3-Dimethylbutyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid, 99% (contains <5%H2O) (CAS 165450-17-9) is a chemical reagent available from Chemat. Available pack sizes: 5g, 25g, 50g, 75g, 100g, 10g, 500g, 1kg. Offered by: Chemat, BLDpharm.

• 2D
• 3D

Neotame is a dipeptide composed of N-(3,3-dimethylbutyl)-L-aspartic acid and methyl L-phenylalanate units joined by a peptide linkage. It has a role as a xenobiotic, a sweetening agent and an environmental contaminant.

Source: ChEBI

Identity

Molecular formula	C20H30N2O5
Molecular weight	378.5 g/mol
IUPAC name	(3S)-3-(3,3-dimethylbutylamino)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
InChIKey	HLIAVLHNDJUHFG-HOTGVXAUSA-N
SMILES	CC(C)(C)CCN[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC

Computed by PubChem (NCBI)

Synonyms: Neotame, N-(N-(3,3-dimethylbutyl)-L-alpha-aspartyl)-L-phenylalanine 1-methyl ester, Neotame [NF], NEOTAME [FHFI], NEOTAME [USP-RS], L-Phenylalanine, N-(3,3-dimethylbutyl)-L-alpha-aspartyl-, 2-methyl ester, methyl N-(3,3-dimethylbutyl)-L-alpha-aspartyl-L-phenylalaninate, Neutame., N-boc amino alc, Neotame (Standard)

Isomers (same molecular formula)

(2S)-4-methyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoic acid C₂₀H₃₀N₂O₅

1-O-tert-butyl 2-O-ethyl (2S,5R)-5-(phenylmethoxyamino)piperidine-1,2-dicarboxylate C₂₀H₃₀N₂O₅

benzyl (2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate C₂₀H₃₀N₂O₅

(2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoic acid C₂₀H₃₀N₂O₅

(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoic acid C₂₀H₃₀N₂O₅

4-methyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoic acid C₂₀H₃₀N₂O₅

1-O-tert-butyl 2-O-ethyl 5-(phenylmethoxyamino)piperidine-1,2-dicarboxylate C₂₀H₃₀N₂O₅

1-O-tert-butyl 2-O-ethyl 5-(phenylmethoxyamino)piperidine-1,2-dicarboxylate C₂₀H₃₀N₂O₅

benzyl 4-methoxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate C₂₀H₃₀N₂O₅

(2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoic acid C₂₀H₃₀N₂O₅

methyl (1R,2R,4S)-7-[(1R,2R,4S)-7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azabicyclo[2.2.1]heptane-2-carbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylate C₂₀H₃₀N₂O₅

6-[6-(phenylmethoxycarbonylamino)hexanoylamino]hexanoic acid C₂₀H₃₀N₂O₅