PRD_002357
Summary
| Name: | SHV-WFP-SER-PRO-YCP-ALA-MP8 Acyldepsipeptide |
| Formula: | C39 H54 F2 N6 O8 |
| Fomular weight: | 772.878 |
| Component type: | peptide-like |
| Polymer sequences: | SHV, WFP, SER, PRO, YCP, ALA, MP8 |
| Non-polymer components: | |
| BIRD class: | Antibiotic |
| Represented as: | polymer |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C39H54F2N6O8/c1-4-5-6-7-13-33(48)43-28(19-25-17-26(40)20-27(41)18-25)34(49)44-29-22-55-39(54)32-16-23(2)21-47(32)36(51)24(3)42-35(50)30-11-8-9-14-45(30)38(53)31-12-10-15-46(31)37(29)52/h17-18,20,23-24,28-32H,4-16,19,21-22H2,1-3H3,(H,42,50)(H,43,48)(H,44,49)/t23-,24+,28+,29+,30+,31+,32+/m1/s1 |
| InChIKey | InChI | 1.06 | ZTTSRDUNBYNJRZ-CSGPBTBZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O |
| SMILES | CACTVS | 3.385 | CCCCCCC(=O)N[CH](Cc1cc(F)cc(F)c1)C(=O)N[CH]2COC(=O)[CH]3C[CH](C)CN3C(=O)[CH](C)NC(=O)[CH]4CCCCN4C(=O)[CH]5CCCN5C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCC(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCC(=O)NC(Cc1cc(cc(c1)F)F)C(=O)NC2COC(=O)C3CC(CN3C(=O)C(NC(=O)C4CCCCN4C(=O)C5CCCN5C2=O)C)C |
