| SpectraBase Compound ID | 9GOTwcg9FGp |
|---|---|
| InChI | InChI=1S/C39H39N3O6/c1-26(40-39(46)48-25-33-31-19-10-8-17-29(31)30-18-9-11-20-32(30)33)37(44)42-22-12-21-35(42)36(43)41-34(23-27-13-4-2-5-14-27)38(45)47-24-28-15-6-3-7-16-28/h2-11,13-20,26,33-35H,12,21-25H2,1H3,(H,40,46)(H,41,43)/t26-,34-,35-/m0/s1 |
| InChIKey | GHLFGTMYBADYJI-RGVLNFNISA-N |
| Mol Weight | 645.8 g/mol |
| Molecular Formula | C39H39N3O6 |
| Exact Mass | 645.283886 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9JduGYzCJ59 |
|---|---|
| Name | Fmoc-Ala-Pro-Phe-OBn |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H39N3O6 |
| InChI | InChI=1S/C39H39N3O6/c1-26(40-39(46)48-25-33-31-19-10-8-17-29(31)30-18-9-11-20-32(30)33)37(44)42-22-12-21-35(42)36(43)41-34(23-27-13-4-2-5-14-27)38(45)47-24-28-15-6-3-7-16-28/h2-11,13-20,26,33-35H,12,21-25H2,1H3,(H,40,46)(H,41,43)/t26-,34-,35-/m0/s1 |
| InChIKey | GHLFGTMYBADYJI-RGVLNFNISA-N |
| Molecular Weight | 645.756 g/mol |
| SMILES | N(C(OCC1c2c(cccc2)-c2c1cccc2)=O)[C@](C(N1[C@](C(N[C@](C(OCc2ccccc2)=O)(Cc2ccccc2)[H])=O)(CCC1)[H])=O)(C)[H] |
| SPLASH | splash10-004i-0903000000-5979a04acbf52ac45400 |
| Source of Spectrum | J-65-1044-32 |
| Synonyms | (2S)-2-[[[(2S)-1-[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester benzyl (2S)-2-[[(2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate benzyl (2S)-2-[[(2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate (phenylmethyl) (2S)-2-[[(2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate |
| Wiley ID | 1532131 |