![[N(OMEGA)-NITRO]ARGININE-[N(OMEGA)-NITRO]ARGININE-PROLINE TRIPEPTIDETRIFLUOROACETATE](/api/spectrum/AvFYTjHmdQD/structure.png?h=300&w=458 "[N(OMEGA)-NITRO]ARGININE-[N(OMEGA)-NITRO]ARGININE-PROLINE TRIPEPTIDETRIFLUOROACETATE")
| SpectraBase Compound ID | 3S5ho6sqCBo |
|---|---|
| InChI | InChI=1S/C17H31N11O8.C2HF3O2/c18-10(4-1-7-21-16(19)24-27(33)34)13(29)23-11(5-2-8-22-17(20)25-28(35)36)14(30)26-9-3-6-12(26)15(31)32;3-2(4,5)1(6)7/h10-12H,1-9,18H2,(H,23,29)(H,31,32)(H3,19,21,24)(H3,20,22,25);(H,6,7)/t10-,11-,12-;/m1./s1 |
| InChIKey | KTYHVTHXDIEUFO-AUYLJXNTSA-N |
| Mol Weight | 631.5 g/mol |
| Molecular Formula | C19H32F3N11O10 |
| Exact Mass | 631.228571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AvFYTjHmdQD |
|---|---|
| Name | [N(OMEGA)-NITRO]ARGININE-[N(OMEGA)-NITRO]ARGININE-PROLINE TRIPEPTIDETRIFLUOROACETATE |
| Comments | 99 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C19H32F3N11O10 |
| InChI | InChI=1S/C17H31N11O8.C2HF3O2/c18-10(4-1-7-21-16(19)24-27(33)34)13(29)23-11(5-2-8-22-17(20)25-28(35)36)14(30)26-9-3-6-12(26)15(31)32;3-2(4,5)1(6)7/h10-12H,1-9,18H2,(H,23,29)(H,31,32)(H3,19,21,24)(H3,20,22,25);(H,6,7)/t10-,11-,12-;/m1./s1 |
| InChIKey | KTYHVTHXDIEUFO-AUYLJXNTSA-N |
| Instrument Name | Bruker WP-80 |
| Literature Reference | V.I.SVERGUN, M.B.SMIRNOV, V.N.KAREL'SKY, V.P.PANOV, E.P.KRYSIN (1980)Khim.Farm.Zhurn.(Russ. Lang.): N6, 97-101. |
| NMR Standard | DMSO-D6 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | C2D6SO dimethylsulfo |