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neotame

Properties

Image

Occurences in reactions

MNX_ID

MNXM128654

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₀H₃₀N₂O₅

charge

mass

378.21547

reference

chebi:83503

InChIKey

HLIAVLHNDJUHFG-HOTGVXAUSA-N

InChI

InChI=1S/C20H30N2O5/c1-20(2,3)10-11-21-15(13-17(23)24)18(25)22-16(19(26)27-4)12-14-8-6-5-7-9-14/h5-9,15-16,21H,10-13H2,1-4H3,(H,22,25)(H,23,24)/t15-,16-/m0/s1

SMILES

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NCCC(C)(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:83503 chebi:83503	neotame N-[N-(3,3-dimethylbutyl)-L-alpha-aspartyl]-L-phenylalanine methyl ester methyl N-(3,3-dimethylbutyl)-L-alpha-aspartyl-L-phenylalaninate
hmdb:HMDB0034566	Neotame 3-[(3,3-Dimethylbutyl)amino]-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)-C-hydroxycarbonimidoyl]propanoate 3-[(3,3-dimethylbutyl)amino]-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]propanoic acid
hmdb:HMDB34566	secondary/obsolete/fantasy identifier