| SpectraBase Compound ID | IdfGRcuJOqE |
|---|---|
| InChI | InChI=1S/C49H65N7O8/c1-8-32(4)43-45(60)51-37(26-31(2)3)46(61)55(7)41(29-34-18-13-10-14-19-34)49(64)56-25-15-20-39(56)48(63)53(5)30-42(58)50-38(27-33-16-11-9-12-17-33)47(62)54(6)40(44(59)52-43)28-35-21-23-36(57)24-22-35/h9-14,16-19,21-24,31-32,37-41,43,57H,8,15,20,25-30H2,1-7H3,(H,50,58)(H,51,60)(H,52,59)/t32-,37-,38-,39-,40-,41+,43-/m0/s1 |
| InChIKey | ZXPWAGZHBVVLJM-PPLXTMPISA-N |
| Mol Weight | 880.1 g/mol |
| Molecular Formula | C49H65N7O8 |
| Exact Mass | 879.489462 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LlcyAyTGLWP |
|---|---|
| Name | Cordyheptapeptide A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C49H65N7O8 |
| InChI | InChI=1S/C49H65N7O8/c1-8-32(4)43-45(60)51-37(26-31(2)3)46(61)55(7)41(29-34-18-13-10-14-19-34)49(64)56-25-15-20-39(56)48(63)53(5)30-42(58)50-38(27-33-16-11-9-12-17-33)47(62)54(6)40(44(59)52-43)28-35-21-23-36(57)24-22-35/h9-14,16-19,21-24,31-32,37-41,43,57H,8,15,20,25-30H2,1-7H3,(H,50,58)(H,51,60)(H,52,59)/t32-,37-,38-,39-,40-,41+,43-/m0/s1 |
| InChIKey | ZXPWAGZHBVVLJM-PPLXTMPISA-N |
| Molecular Weight | 880.100 g/mol |
| SMILES | N1C(CN(C([C@]2(N(C([C@](N(C([C@@](NC([C@@](NC([C@](Cc3ccc(cc3)O)(N(C([C@@]1(Cc1ccccc1)[H])=O)C)[H])=O)([C@](CC)(C)[H])[H])=O)(CC(C)C)[H])=O)C)(Cc1ccccc1)[H])=O)CCC2)[H])=O)C)=O |
| SPLASH | splash10-0fai-4900000040-fd654d9ce1ac0869220a |
| Source of Spectrum | G4-69-307-1 |
| Synonyms | (3R,6S,9S,12S,15S,21S)-3,15-dibenzyl-9-[(2S)-butan-2-yl]-12-[(4-hydroxyphenyl)methyl]-4,13,19-trimethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone (3R,6S,9S,12S,15S,21S)-3,15-dibenzyl-12-[(4-hydroxyphenyl)methyl]-6-isobutyl-4,13,19-trimethyl-9-[(1S)-1-methylpropyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone (3R,6S,9S,12S,15S,21S)-9-[(2S)-butan-2-yl]-12-[(4-hydroxyphenyl)methyl]-4,13,19-trimethyl-6-(2-methylpropyl)-3,15-bis(phenylmethyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone |
| Wiley ID | 1694289 |