| 2D Structure | |
| CID | 56843846 |
| IUPAC Name | (3S)-3-[3-(3-hydroxy-4-methoxyphenyl)propylamino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid;hydrate |
| InChI | InChI=1S/C24H30N2O7.H2O/c1-32-21-11-10-17(14-20(21)27)9-6-12-25-18(15-22(28)29)23(30)26-19(24(31)33-2)13-16-7-4-3-5-8-16;/h3-5,7-8,10-11,14,18-19,25,27H,6,9,12-13,15H2,1-2H3,(H,26,30)(H,28,29);1H2/t18-,19-;/m0./s1 |
| InChI Key | NQQIEOGMDRFTDZ-HLRBRJAUSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C24H32N2O8 |
| Molecular Weight | 476.5 |
| synonyms | ['Advantame', '714229-20-6', 'UNII-3ZA6810AWX', 'Advantame monohydrate', '3ZA6810AWX', '(S)-3-((3-(3-Hydroxy-4-methoxyphenyl)propyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid hydrate', 'MFCD28144745', 'L-Phenylalanine, N-(3-(3-hydroxy-4-methoxyphenyl)propyl)-l-alpha-aspartyl-, 2-methyl ester, hydrate (1:1)', 'L-Phenylalanine, N-(3-(3-hydroxy-4-methoxyphenyl)propyl)-l-alpha-aspartyl-, 2-methyl ester, monohydrate', 'Phenylalanine, N-(3-(3-hydroxy-4-methoxyphenyl)propyl)-alpha-aspartyl-, 2-methyl ester, monohydrate', 'advantame hydrate', 'ADVANTAME [USP-RS]', 'INS NO.969', 'MSK5115W', 'orb1941610', 'orb3025945', 'SCHEMBL2156362', 'FEMA NO. 4716', 'DTXSID00991787', 'INS-969', 'C24H32N2O8', 'EX-A8009', 'HY-122351A', 'DA-50248', 'E969', 'CS-0835016', 'E-969', 'NS00127040', 'G90455', 'Q27258250', '(3S)-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-[3-(4-methoxy-3-oxidanyl-phenyl)propylamino]-4-oxidanylidene-butanoic acid;hydrate', '4-Hydroxy-3-{[3-(3-hydroxy-4-methoxyphenyl)propyl]amino}-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)imino]butanoic acid--water (1/1)', 'L-PHENYLALANINE, N-(3-(3-HYDROXY-4-METHOXYPHENYL)PROPYL)-L-.ALPHA.-ASPARTYL-, 2-METHYL ESTER, HYDRATE (1:1)', 'L-PHENYLALANINE, N-(3-(3-HYDROXY-4-METHOXYPHENYL)PROPYL)-L-.ALPHA.-ASPARTYL-, 2-METHYL ESTER, MONOHYDRATE', 'Methyl N-[3-(3-hydroxy-4-methoxyphenyl)propyl]-L-alpha-aspartyl-L-phenylalaninate--water (1/1)', 'N-(N-(3-(3-HYDROXY-4-METHOXYPHENYL) PROPYL)-L-.ALPHA.-ASPARTYL)-L-PHENYLALANINE-1-METHYL ESTER, MONOHYDRATE', 'PHENYLALANINE, N-(3-(3-HYDROXY-4-METHOXYPHENYL)PROPYL)-.ALPHA.-ASPARTYL-, 2-METHYL ESTER, MONOHYDRATE'] |
From Pubchem