Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013071
PROPERTIES
| NPAID | NPA013071 |
|---|---|
| CLUSTER ID | 398 |
| NODE ID | 358 |
| NAME | Cryptophycin A |
| FORMULA | C35H43ClN2O8 |
| MOLECULAR WEIGHT (Da) | 655.1880 |
| ACCURATE MASS (Da) | 654.2708 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. GSV 224 |
| InChIKey | PSNOPSMXOBPNNV-OFWIHYRESA-N |
| InChI | InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26-,27+,29+,31+,32-/m1/s1 |
| SMILES | COC1=C(Cl)C=C(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]3O[C@@H]3C3=CC=CC=C3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)C=C1 |
| SYNONYMS | |
| Cryptophycin 1 | |
ORIGINAL ISOLATION REFERENCE
| CITATION | Trimurtulu, Golakoti; Ohtani, Ikuko; Patterson, Gregory M. L.; Moore, Richard E.; Corbett, Thomas H.; Valeriote, Frederick A.; Demchik, Lisa Total structures of cryptophycins, potent antitumor depsipeptides from the blue-green alga Nostoc sp. strain GSV 224 Journal of the American Chemical Society 1994 116 (11) 4729-4737. | ||
|---|---|---|---|
| DOI | 10.1021/ja00090a020 | PMID | - |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl | Trimurtulu, Golakoti; Ohtani, Ikuko; Patterson, Gregory M. L.; Moore, Richard E.; Corbett, Thomas H.; Valeriote, Frederick A.; Demchik, Lisa Total structures of cryptophycins, potent antitumor depsipeptides from the blue-green alga Nostoc sp. strain GSV 224 Journal of the American Chemical Society 1994 116 (11) 4729-4737. DOI: 10.1021/ja00090a020 | ||
| 2 | COC1=C(Cl)C=C(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]3O[C@@H]3C3=CC=CC=C3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)C=C1 | Barrow, Russell A.; Hemscheidt, Thomas; Liang, Jian; Paik, Seunguk; Moore, Richard E.; Tius, Marcus A. Total Synthesis of Cryptophycins. Revision of the Structures of Cryptophycins A and C. Journal of the American Chemical Society 1995 117 (9) 2479-2490. DOI: 10.1021/ja00114a011 | ||
