PRD_002429
Summary
| Name: | cihanmycin G |
| Formula: | C74 H87 N11 O22 |
| Fomular weight: | 1482.543 |
| Component type: | peptide-like |
| Polymer sequences: | THR, D4P, GLU, GLY, BB8, PRO, KJW, GLY, A1D5P, DPN |
| Non-polymer components: | |
| BIRD class: | Unknown |
| Represented as: | polymer |
| Compound Details: | Author stated that they first isolated this compound from the Streptomyces lividans SBT18 host haboring the biosynthetic gene cluster of cihanmycin (GenBank accession no.TQJ01344-TQJ01379), with the cytochrome p450 monooxygenase gene cih33 inactivated. |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(3~{S},9~{S},12~{S},15~{S},16~{R},19~{R},22~{R},28~{R},31~{S})-15-[[(~{E})-3-[2-[(2~{R},3~{S})-3-[(1~{R})-1-aminocarbonyloxypropyl]oxiran-2-yl]phenyl]prop-2-enoyl]amino]-12-(4-hydroxyphenyl)-22-[(~{S})-(4-hydroxyphenyl)-oxidanyl-methyl]-16-methyl-28-[(1~{S})-2-methyl-1-oxidanyl-propyl]-2,5,8,11,14,18,21,24,27,30-decakis(oxidanylidene)-3-[(~{S})-oxidanyl(phenyl)methyl]-19-(phenylmethyl)-17-oxa-1,4,7,10,13,20,23,26,29-nonazabicyclo[29.3.0]tetratriacontan-9-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](OC(N)=O)[C@@H]1O[C@@H]1c2ccccc2\C=C\C(=O)N[C@H]3[C@@H](C)OC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC3=O)c6ccc(O)cc6)[C@@H](O)c7ccccc7)[C@@H](O)C(C)C)[C@@H](O)c8ccc(O)cc8 |
| SMILES | CACTVS | 3.385 | CC[CH](OC(N)=O)[CH]1O[CH]1c2ccccc2C=CC(=O)N[CH]3[CH](C)OC(=O)[CH](Cc4ccccc4)NC(=O)[CH](NC(=O)CNC(=O)[CH](NC(=O)[CH]5CCCN5C(=O)[CH](NC(=O)CNC(=O)[CH](CCC(O)=O)NC(=O)[CH](NC3=O)c6ccc(O)cc6)[CH](O)c7ccccc7)[CH](O)C(C)C)[CH](O)c8ccc(O)cc8 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H]([C@H]1[C@H](O1)c2ccccc2/C=C/C(=O)N[C@H]3[C@H](OC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC3=O)c5ccc(cc5)O)CCC(=O)O)[C@H](c6ccccc6)O)[C@H](C(C)C)O)[C@H](c7ccc(cc7)O)O)Cc8ccccc8)C)OC(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C1C(O1)c2ccccc2C=CC(=O)NC3C(OC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C4CCCN4C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC3=O)c5ccc(cc5)O)CCC(=O)O)C(c6ccccc6)O)C(C(C)C)O)C(c7ccc(cc7)O)O)Cc8ccccc8)C)OC(=O)N |
