PRD_001016
Summary
| Name: | Glidobactin |
| Formula: | C27 H46 N4 O6 |
| Fomular weight: | 522.677 |
| Component type: | peptide-like |
| Polymer sequences: | MH9, THR, LYO, 0W6 |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | polymer |
| Families: | FAM_900022 |
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,4E)-N-[(2R,3S)-3-hydroxy-1-{[(5R,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododecan-8-yl]amino}-1-oxobutan-2-yl]dodeca-2,4-dienamide |
| OpenEye OEToolkits | 1.7.6 | (2E,4E)-N-[(2S,3R)-1-[[(5S,8S,10S)-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodeca-2,4-dienamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(\C=C\C=C/CCCCCCC)NC(C(=O)NC1C(=O)NC(CCC(=O)NCCC(O)C1)C)C(O)C |
| InChI | InChI | 1.03 | InChI=1S/C27H46N4O6/c1-4-5-6-7-8-9-10-11-12-13-24(35)31-25(20(3)32)27(37)30-22-18-21(33)16-17-28-23(34)15-14-19(2)29-26(22)36/h10-13,19-22,25,32-33H,4-9,14-18H2,1-3H3,(H,28,34)(H,29,36)(H,30,37)(H,31,35) |
| InChIKey | InChI | 1.03 | MCYAPDZYLYAJFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCC/C=C/C=C/C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C[C@@H](O)CCNC(=O)CC[C@H](C)NC1=O |
| SMILES | CACTVS | 3.370 | CCCCCCCC=CC=CC(=O)N[CH]([CH](C)O)C(=O)N[CH]1C[CH](O)CCNC(=O)CC[CH](C)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCC/C=C/C=C/C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C[C@H](CCNC(=O)CC[C@@H](NC1=O)C)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCC=CC=CC(=O)NC(C(C)O)C(=O)NC1CC(CCNC(=O)CCC(NC1=O)C)O |
