| SpectraBase Compound ID | xNP0sTmuZF |
|---|---|
| InChI | InChI=1S/C45H61N3O6S/c1-30(2)14-10-15-32(5)16-11-17-33(6)23-25-55-29-40(44(51)53-7)46-42(49)41-22-13-24-48(41)43(50)39(26-31(3)4)47-45(52)54-28-35-19-12-21-37-36-20-9-8-18-34(36)27-38(35)37/h8-9,12,14,16,18-21,23,31,39-41H,10-11,13,15,17,22,24-29H2,1-7H3,(H,46,49)(H,47,52)/b32-16+,33-23+/t39-,40-,41-/m0/s1 |
| InChIKey | BWKHYOQCFYWDTH-CGNGZWRFSA-N |
| Mol Weight | 772.1 g/mol |
| Molecular Formula | C45H61N3O6S |
| Exact Mass | 771.428108 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LKPV1KMyjV3 |
|---|---|
| Name | Fluorenylmethoxycarbonylleucyl-prolyl-S-farnesyl-cysteine methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C45H61N3O6S |
| InChI | InChI=1S/C45H61N3O6S/c1-30(2)14-10-15-32(5)16-11-17-33(6)23-25-55-29-40(44(51)53-7)46-42(49)41-22-13-24-48(41)43(50)39(26-31(3)4)47-45(52)54-28-35-19-12-21-37-36-20-9-8-18-34(36)27-38(35)37/h8-9,12,14,16,18-21,23,31,39-41H,10-11,13,15,17,22,24-29H2,1-7H3,(H,46,49)(H,47,52)/b32-16+,33-23+/t39-,40-,41-/m0/s1 |
| InChIKey | BWKHYOQCFYWDTH-CGNGZWRFSA-N |
| Molecular Weight | 772.058 g/mol |
| SMILES | N(C(OCc1c2c(-c3ccccc3C2)ccc1)=O)[C@](C(N1[C@](C(N[C@](C(=O)OC)(CSC\C=C\(CC\C=C\(CCC=C(C)C)C)C)[H])=O)(CCC1)[H])=O)(CC(C)C)[H] |
| SPLASH | splash10-004i-0900000000-7cc7893244eddffffe78 |
| Source of Spectrum | G2-5-79-6 |
| Wiley ID | 1705382 |