neotame

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IUPAC Name :(3S)-3-(3,3-dimethylbutylamino)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
InChI :InChI=1/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
Std.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
InChIKey :HLIAVLHNDJUHFG-HOTGVXAUBG
Std.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
MDL: MFCD09039056
Molar Refractivity :102.86 ± 0.5 cm3 (est)
Parachor :837.9 ± 8.0 cm3 (est)
Index of Refraction :1.530 ± 0.05 (est)
Surface Tension :40.1 ± 7.0 dyne/cm (est)
Density :1.13 ± 0.1 g/cm3 (est)
Polarizability :40.78 ± 0.5 10-24cm3 (est)