| CAS Number | 918149-29-8 |
| Catalog Number | AG00GXCF(AGN-PC-0VW2EE) |
| Chemical Name | Sodium N-[[[(4S)-4-amino-4-carboxybutyl]amino]iminomethyl]-L-aspartate (2:1) |
| IUPAC Name | disodium;(2S)-2-amino-5-[[amino-[[(1S)-1-carboxy-2-carboxylatoethyl]amino]methylidene]amino]pentanoate |
| InChI | InChI=1S/C10H18N4O6.2Na/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16;;/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14);;/q;2*+1/p-2/t5-,6-;;/m0../s1 |
| InChI Key | NIOYXHIHRCWMMB-USPAICOZSA-L |
| MDL Number | MFCD11656132 |
| Molecular Formula | C10H16N4Na2O6 |
| Molecular Weight | 334.2368 |
| SMILES | O=C([O-])C[C@@H](C([O-])=O)NC(NCCC[C@H](N)C(O)=O)=N.[Na+].[Na+] |
| Synonyms | Argininosuccinic acid disodium salt hydrate,
918149-29-8,
CTK8F7825,
|
| Complexity | 386 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.24g/mol |
| Monoisotopic Mass | 334.087g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 194A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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