![N-{[2-(D-manno-Pentitol-1-yl)-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetyl}glycyl-L-phenylalanyl-L-leucine](/api/spectrum/6mgf9o0nbE9/structure.png?h=300&w=458 "N-{[2-(D-manno-Pentitol-1-yl)-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetyl}glycyl-L-phenylalanyl-L-leucine")
| SpectraBase Compound ID | 7fV96CdI8dr |
|---|---|
| InChI | InChI=1S/C34H47N5O12/c1-18(2)12-24(34(50)51)38-32(48)22(13-19-6-4-3-5-7-19)36-26(43)15-35-27(44)16-39-31(30(47)29(46)28(45)25(42)17-40)37-23(33(39)49)14-20-8-10-21(41)11-9-20/h3-11,18,22-25,28-31,37,40-42,45-47H,12-17H2,1-2H3,(H,35,44)(H,36,43)(H,38,48)(H,50,51)/t22?,23?,24?,25-,28-,29+,30+,31?/m1/s1 |
| InChIKey | LNSPLTWYVDUATH-JJIJJOBTSA-N |
| Mol Weight | 717.8 g/mol |
| Molecular Formula | C34H47N5O12 |
| Exact Mass | 717.322122 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6mgf9o0nbE9 |
|---|---|
| Name | N-{[2-(D-manno-Pentitol-1-yl)-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetyl}glycyl-L-phenylalanyl-L-leucine |
| Alternate Name(s) | (1S)-1-C-[1-(2-{[2-({1-benzyl-2-[(1-carboxy-3-methylbutyl)amino]-2-oxoethyl}amino)-2-oxoethyl]amino}-2-oxoethyl)-4-(4-hydroxybenzyl)-5-oxo-2-imidazolidinyl]-D-arabinitol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H47N5O12 |
| InChI | InChI=1S/C34H47N5O12/c1-18(2)12-24(34(50)51)38-32(48)22(13-19-6-4-3-5-7-19)36-26(43)15-35-27(44)16-39-31(30(47)29(46)28(45)25(42)17-40)37-23(33(39)49)14-20-8-10-21(41)11-9-20/h3-11,18,22-25,28-31,37,40-42,45-47H,12-17H2,1-2H3,(H,35,44)(H,36,43)(H,38,48)(H,50,51)/t22?,23?,24?,25-,28-,29+,30+,31?/m1/s1 |
| InChIKey | LNSPLTWYVDUATH-JJIJJOBTSA-N |
| Molecular Weight | 717.773 g/mol |
| SMILES | N1C(C(N(C1[C@]([C@]([C@@]([C@](O)(CO)[H])(O)[H])(O)[H])(O)[H])CC(NCC(NC(C(NC(C(=O)O)CC(C)C)=O)Cc1ccccc1)=O)=O)=O)Cc1ccc(cc1)O |
| SPLASH | splash10-0002-0000092200-9a865a7757248af61ec1 |
| Source of Spectrum | KC-0-2833-3 |
| Wiley ID | 829256 |