TNA
Summary
| Name: | N-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-L-glutamic acid |
| Synonyms: | thermonicotianamine |
| Formula: | C13 H23 N3 O8 |
| Formal charge: | 0 |
| Formula weight: | 349.337 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-L-glutamic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-[[(3S)-3-[[(3S)-3-amino-4-hydroxy-4-oxo-butyl]amino]-4-hydroxy-4-oxo-butyl]amino]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NCCC(NCCC(N)C(=O)O)C(=O)O)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCN[C@@H](CCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCN[CH](CCN[CH](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(=O)O)C(C(=O)O)NCCC(C(=O)O)NCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H23N3O8/c14-7(11(19)20)3-5-15-9(13(23)24)4-6-16-8(12(21)22)1-2-10(17)18/h7-9,15-16H,1-6,14H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t7-,8-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | PCXSNYIAEDAACL-CIUDSAMLSA-N |
