![(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]butanedioic acid](/api/spectrum/7Xm7Uc0tz9y/structure.png?h=300&w=458 "(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]butanedioic acid")
| SpectraBase Compound ID | FqFfYQrdoC8 |
|---|---|
| InChI | InChI=1S/C32H59N13O10/c1-15(2)12-20(44-25(49)17(5)41-29(53)24(33)16(3)4)26(50)40-14-22(46)42-18(8-6-10-38-31(34)35)27(51)43-19(9-7-11-39-32(36)37)28(52)45-21(30(54)55)13-23(47)48/h15-21,24H,6-14,33H2,1-5H3,(H,40,50)(H,41,53)(H,42,46)(H,43,51)(H,44,49)(H,45,52)(H,47,48)(H,54,55)(H4,34,35,38)(H4,36,37,39)/t17-,18-,19-,20-,21-,24-/m0/s1 |
| InChIKey | JNPFSFQWWACSRF-WLUSOVMFSA-N |
| Mol Weight | 785.9 g/mol |
| Molecular Formula | C32H59N13O10 |
| Exact Mass | 785.450785 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7Xm7Uc0tz9y |
|---|---|
| Name | (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]butanedioic acid |
| Carrier Gas | Helium |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 785.450785142 u |
| Formula | C32H59N13O10 |
| GC Column | DB-WAX (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| GC Oven Program | Oven temp 230oC |
| InChI | InChI=1S/C32H59N13O10/c1-15(2)12-20(44-25(49)17(5)41-29(53)24(33)16(3)4)26(50)40-14-22(46)42-18(8-6-10-38-31(34)35)27(51)43-19(9-7-11-39-32(36)37)28(52)45-21(30(54)55)13-23(47)48/h15-21,24H,6-14,33H2,1-5H3,(H,40,50)(H,41,53)(H,42,46)(H,43,51)(H,44,49)(H,45,52)(H,47,48)(H,54,55)(H4,34,35,38)(H4,36,37,39)/t17-,18-,19-,20-,21-,24-/m0/s1 |
| InChIKey | JNPFSFQWWACSRF-WLUSOVMFSA-N |
| Instrument Name | Agilent GC-MS 7890 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1016/j.fochx.2022.100224 |
| Molecular Weight | 785.905 g/mol |
| Quality | 384 |
| SMILES | N[C@](C(N[C@](C(=O)N[C@](C(NCC(N[C@@](CCCNC(N)=N)(C(N[C@@](CCCNC(=N)N)(C(=O)N[C@@](CC(=O)O)(C(O)=O)[H])[H])=O)[H])=O)=O)(CC(C)C)[H])(C)[H])=O)(C(C)C)[H] |
| SPLASH | splash10-05tu-8913110000-e96c7fddc8db1801d56b |
| Source of Spectrum | FCX-13-SM2-VALGRRD (DOI: 10.1016/j.fochx.2022.100224) |
| Wiley ID | 1909588 |