| SpectraBase Compound ID | BdggdnaIgxB |
|---|---|
| InChI | InChI=1S/C13H19N4O7PS.Na/c14-25(20,16-26(21,22)23)17-8-4-7-11(12(17)18)15-13(19)24-9-10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2,(H,15,19)(H3,14,16,20)(H,21,22,23);/q;+1/p-1/t11-,25+;/m1./s1 |
| InChIKey | TUWFDXVXXCAEAL-OAGITCNZSA-M |
| Mol Weight | 428.33 g/mol |
| Molecular Formula | C13H18N4NaO7PS |
| Exact Mass | 428.053151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | RSIrfPQ1vr |
|---|---|
| Name | (3R,R-P)-1-AMINO-(SULFAMINO)-PHOSPHINYL-3-BENZYLOXYCARBONYLAMINO-2-PIPERIDINONE_SODIUM_SALT |
| Compound Number | 5B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H18N4NaO7PS |
| InChI | InChI=1S/C13H19N4O7PS.Na/c14-25(20,16-26(21,22)23)17-8-4-7-11(12(17)18)15-13(19)24-9-10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2,(H,15,19)(H3,14,16,20)(H,21,22,23);/q;+1/p-1/t11-,25+;/m1./s1 |
| InChIKey | TUWFDXVXXCAEAL-OAGITCNZSA-M |
| Literature Reference Author | M.ABE,T.AKIYAMA,H.NAKAMURA,F.KOJIMA,S.HARADA,Y.MURAOKA |
| Literature Reference Citation | J.NAT.PROD.,67,999(2004) |
| Literature Reference DOI | 10.1021/np030491b |
| Molecular Weight | 428.332 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ7214 |