DMY
Summary
| Name: | DISTAMYCIN A |
| Synonyms: | DISTAMYCIN STALLIMYCIN |
| Formula: | C22 H27 N9 O4 |
| Formal charge: | 0 |
| Formula weight: | 481.508 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[5-({5-[(3-amino-3-iminopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-4-(formylamino)-1-methyl-1H-pyrrole-2-carboxamide |
| OpenEye OEToolkits | 1.5.0 | N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-formamido-1-methyl-pyrrole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1cc(C(=O)NCCC(=[N@H])N)n(c1)C)c3cc(NC(=O)c2cc(NC=O)cn2C)cn3C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cn1cc(NC=O)cc1C(=O)Nc2cn(C)c(c2)C(=O)Nc3cn(C)c(c3)C(=O)NCCC(N)=N |
| SMILES | CACTVS | 3.341 | Cn1cc(NC=O)cc1C(=O)Nc2cn(C)c(c2)C(=O)Nc3cn(C)c(c3)C(=O)NCCC(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)NCCC(=N)N)NC=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)NCCC(=N)N)NC=O |
| InChI | InChI | 1.03 | InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34) |
| InChIKey | InChI | 1.03 | UPBAOYRENQEPJO-UHFFFAOYSA-N |
