| 2D Structure | |
| CID | 20055408 |
| IUPAC Name | (3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acid;pentahydrate |
| InChI | InChI=1S/2C14H25N3O4S.5H2O/c2*1-7(16-11(21)8(15)6-9(18)19)10(20)17-12-13(2,3)22-14(12,4)5;;;;;/h2*7-8,12H,6,15H2,1-5H3,(H,16,21)(H,17,20)(H,18,19);5*1H2/t2*7-,8+;;;;;/m11...../s1 |
| InChI Key | NUFKRGBSZPCGQB-FLBSXDLDSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C28H60N6O13S2 |
| Molecular Weight | 752.9 |
| synonyms | ['Alitame hydrate', '99016-42-9', '6KI9M51JOG', 'Aclame', 'Ins-956(alitame)', 'E-956(alitame)', 'Ins no.956(alitame)', 'CP-54,802', 'DTXSID1035028', 'CP-54802', 'D-Alaninamide, L-alpha-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-, hydrate (2:5)', 'RefChem:915402', 'DTXCID9015028', 'alpha-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)alaninamide', 'Alitame', 'Alitame [USAN]', 'bis(N4-((R)-1-oxo-1-((2,2,4,4-tetramethylthietan-3-yl)amino)propan-2-yl)-D-asparagine) pentahydrate', 'UNII-6KI9M51JOG', 'HSDB 7825', '(3S)-Amino-N-((1R)-1-((2,2,4,4-tetramethyl-3-thietanyl)carbamoyl)ethyl)succinamic acid hydrate (2:5)', '(3S)-Amino-N-[(1R)-1-[(2,2,4,4-tetramethyl-3-thietanyl)carbamoyl]ethyl]succinamic acid hydrate (2:5)', 'ALITAME [HSDB]', 'ALITAME [FCC]', 'ALITAME [USP-RS]', 'SCHEMBL4590', 'orb1698559', 'NUFKRGBSZPCGQB-FLBSXDLDSA-N', 'AKOS015994748', 'KS-1290', 'D-Alaninamide, L-.alpha.-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-, hydrate (2:5)', 'Q27895912', 'D-Alaninamide, L-apha-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)- hydrate (2:5)', '(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acid;pentahydrate', '(3S)-Amino-N-((1R)-1-((2,2,4,4-tetramethyl-3-thietanyl)carbamoy)ethyl)succinamic acid hydrate (2:5)'] |
From Pubchem