| SpectraBase Compound ID | FRLgZgmgf7e |
|---|---|
| InChI | InChI=1S/C37H49N5O5/c1-13-24-22(6)33(44)41-30(24)16-28-20(4)18(2)26(39-28)15-27-19(3)21(5)29(40-27)17-31-25(37(11,12)35(46)42-31)14-32(43)38-23(7)34(45)47-36(8,9)10/h15-17,23,25,39H,13-14H2,1-12H3,(H,38,43)(H,41,44)(H,42,46)/b27-15-,30-16-,31-17-/t23-,25+/m0/s1 |
| InChIKey | MVYRLRLEOMFGRW-IPZIJCQBSA-N |
| Mol Weight | 643.8 g/mol |
| Molecular Formula | C37H49N5O5 |
| Exact Mass | 643.37337 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DWL0qtn6II6 |
|---|---|
| Name | 21H-Biline, L-alanine |
| Alternate Name(s) | L-Alanine, N-[(17-ethyl-1,2,3,19,23,24-hexahydro-2,2,7,8,12,13,18-heptamethyl-1,19-dioxo-21H-bilin-3-yl)acetyl]-, 1,1-dimethylethyl ester, (3S)- (3S)-(4Z,9Z,15Z)-17-ethyl-1,19-dioxo-2,2,7,8,12,13,18-heptamethyl-1,2,3,19,23,24-hexahydro-21H-bilin-3-(S)-alanine-t-butylester-acetamide |
| CAS Registry Number | 100992-22-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H49N5O5 |
| InChI | InChI=1S/C37H49N5O5/c1-13-24-22(6)33(44)41-30(24)16-28-20(4)18(2)26(39-28)15-27-19(3)21(5)29(40-27)17-31-25(37(11,12)35(46)42-31)14-32(43)38-23(7)34(45)47-36(8,9)10/h15-17,23,25,39H,13-14H2,1-12H3,(H,38,43)(H,41,44)(H,42,46)/b27-15-,30-16-,31-17-/t23-,25+/m0/s1 |
| InChIKey | MVYRLRLEOMFGRW-IPZIJCQBSA-N |
| Molecular Weight | 643.829 g/mol |
| SMILES | N1C(C([C@](CC(N[C@](C(OC(C)(C)C)=O)(C)[H])=O)(\C1=C/C1=N\C(=C/c2[nH]c(c(c2C)C)\C=C/2NC(C(=C2CC)C)=O)C(=C1C)C)[H])(C)C)=O |
| SPLASH | splash10-0aor-9100000000-1e2508f03597e0bf7b32 |
| Source of Spectrum | AH-116-1073-2 |
| Wiley ID | 1412792 |