![2-[2-(3-Amino-3-carboxy-propionylamino)-3-(carboxymethyl-carbamoyl)-propyldisulfanyl]-ethanesulfonic acid](/api/spectrum/CkazvoGAakd/structure.png?h=300&w=458 "2-[2-(3-Amino-3-carboxy-propionylamino)-3-(carboxymethyl-carbamoyl)-propyldisulfanyl]-ethanesulfonic acid")
| SpectraBase Compound ID | 6ZWtrslcQ81 |
|---|---|
| InChI | InChI=1S/C12H21N3O9S3.Na/c13-8(12(20)21)4-10(17)15-7(3-9(16)14-5-11(18)19)6-26-25-1-2-27(22,23)24;/h7-8H,1-6,13H2,(H,14,16)(H,15,17)(H,18,19)(H,20,21)(H,22,23,24);/q;+1/p-1 |
| InChIKey | RYEGNNLGLAANCD-UHFFFAOYSA-M |
| Mol Weight | 469.47 g/mol |
| Molecular Formula | C12H20N3NaO9S3 |
| Exact Mass | 469.025937 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | CkazvoGAakd |
|---|---|
| Name | 2-[2-(3-Amino-3-carboxy-propionylamino)-3-(carboxymethyl-carbamoyl)-propyldisulfanyl]-ethanesulfonic acid |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H20N3NaO9S3 |
| InChI | InChI=1S/C12H21N3O9S3.Na/c13-8(12(20)21)4-10(17)15-7(3-9(16)14-5-11(18)19)6-26-25-1-2-27(22,23)24;/h7-8H,1-6,13H2,(H,14,16)(H,15,17)(H,18,19)(H,20,21)(H,22,23,24);/q;+1/p-1 |
| InChIKey | RYEGNNLGLAANCD-UHFFFAOYSA-M |
| Instrument Name | Bruker AM-500 |
| NMR Standard | TMS-Propi Na |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |