M2D
Summary
| Name: | Madumycin II |
| Formula: | C26 H37 N3 O7 |
| Formal charge: | 0 |
| Formula weight: | 503.588 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (4~{R},7~{R},8~{R},9~{E},14~{Z},16~{E},18~{S},20~{S})-4,8,16-trimethyl-18,20-bis(oxidanyl)-7-propan-2-yl-6,23-dioxa-3,12,25-triazabicyclo[20.2.1]pentacosa-1(24),9,14,16,22(25)-pentaene-2,5,11-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C26H37N3O7/c1-15(2)24-17(4)8-9-22(32)27-10-6-7-16(3)11-19(30)12-20(31)13-23-29-21(14-35-23)25(33)28-18(5)26(34)36-24/h6-9,11,14-15,17-20,24,30-31H,10,12-13H2,1-5H3,(H,27,32)(H,28,33)/b7-6-,9-8+,16-11+/t17-,18-,19-,20+,24-/m1/s1 |
| InChIKey | InChI | 1.03 | SAQNYTQFLPVTNJ-YHZICBGDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H]1OC(=O)[C@@H](C)NC(=O)c2coc(C[C@@H](O)C[C@H](O)/C=C(C)/C=C\CNC(=O)/C=C/[C@H]1C)n2 |
| SMILES | CACTVS | 3.385 | CC(C)[CH]1OC(=O)[CH](C)NC(=O)c2coc(C[CH](O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1C)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1/C=C/C(=O)NC/C=C\C(=C\[C@H](C[C@@H](Cc2nc(co2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)C)O)O)\C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1C=CC(=O)NCC=CC(=CC(CC(Cc2nc(co2)C(=O)NC(C(=O)OC1C(C)C)C)O)O)C |
