![N-{N-[N2-carboxy-N5-(nitroamidino)-L-ornithyl]-L-valyl}tyrosine, N-benzyl ester](/api/spectrum/JcndnlktjTV/structure.png?h=300&w=458 "N-{N-[N2-carboxy-N5-(nitroamidino)-L-ornithyl]-L-valyl}tyrosine, N-benzyl ester")
| SpectraBase Compound ID | EybvfuopnXV |
|---|---|
| InChI | InChI=1S/C28H37N7O9/c1-17(2)23(25(38)31-22(26(39)40)15-18-10-12-20(36)13-11-18)33-24(37)21(9-6-14-30-27(29)34-35(42)43)32-28(41)44-16-19-7-4-3-5-8-19/h3-5,7-8,10-13,17,21-23,36H,6,9,14-16H2,1-2H3,(H,31,38)(H,32,41)(H,33,37)(H,39,40)(H3,29,30,34)/t21-,22-,23-/m0/s1 |
| InChIKey | YSBILCHNXOHNSA-VABKMULXSA-N |
| Mol Weight | 615.6 g/mol |
| Molecular Formula | C28H37N7O9 |
| Exact Mass | 615.265276 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | JcndnlktjTV |
|---|---|
| Name | N-{N-[N^2-CARBOXY-N^5-(NITROAMIDINO)-L-ORNITHYL]-L-VALYL}TYROSINE, N-BENZYL ESTER |
| Source of Sample | K. Arakawa, Cleveland Clinic, Cleveland, Ohio |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H37N7O9 |
| InChI | InChI=1S/C28H37N7O9/c1-17(2)23(25(38)31-22(26(39)40)15-18-10-12-20(36)13-11-18)33-24(37)21(9-6-14-30-27(29)34-35(42)43)32-28(41)44-16-19-7-4-3-5-8-19/h3-5,7-8,10-13,17,21-23,36H,6,9,14-16H2,1-2H3,(H,31,38)(H,32,41)(H,33,37)(H,39,40)(H3,29,30,34)/t21-,22-,23-/m0/s1 |
| InChIKey | YSBILCHNXOHNSA-VABKMULXSA-N |
| Literature Reference | JACS 81, 5691(1959) |
| Melting Point | 180.5-181.5C |
| Molecular Weight | 615.643982 |
| Synonyms | L-TYROSINE, N-/N-/N2-BENZYLOXY- CARBONYL-N4-NITRO-L-ARGINYL/-L-VALYL/-, |
| Technique | KBr WAFER |