PRD_002267
Summary
| Name: | D-Arg4,Leu10-Teixobactin |
| Formula: | C59 H101 N14 O14 |
| Fomular weight: | 1230.519 |
| Component type: | peptide-like |
| Polymer sequences: | ZAE, ILE, SER, DAR, 28J, ILE, SER, DTH, ALA, LEU, ILE |
| Non-polymer components: | |
| BIRD class: | Antibiotic |
| Represented as: | polymer |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [azanyl-[[(4~{R})-5-[[(2~{R},3~{S})-1-[[(2~{S},3~{S})-1-[[(2~{S})-1-[[(3~{S},6~{S},9~{S},12~{R},13~{S})-3-[(2~{S})-butan-2-yl]-9,13-dimethyl-6-(2-methylpropyl)-2,5,8,11-tetrakis(oxidanylidene)-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[(2~{S})-2-[[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-2-(methylamino)-3-phenyl-propanoyl]amino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentyl]amino]methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H]2[C@H](C)OC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC2=O)[C@@H](C)CC |
| SMILES | CACTVS | 3.385 | CC[CH](C)[CH](NC(=O)[CH](Cc1ccccc1)NC)C(=O)N[CH](CO)C(=O)N[CH](CCCNC(N)=[NH2+])C(=O)N[CH]([CH](C)CC)C(=O)N[CH]([CH](C)CC)C(=O)N[CH](CO)C(=O)N[CH]2[CH](C)OC(=O)[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](C)NC2=O)[CH](C)CC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H](C)[C@H]1C(=O)O[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H](CCCNC(=[NH2+])N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](Cc2ccccc2)NC)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C)C1C(=O)OC(C(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C)NC(=O)C(CO)NC(=O)C(C(C)CC)NC(=O)C(C(C)CC)NC(=O)C(CCCNC(=[NH2+])N)NC(=O)C(CO)NC(=O)C(C(C)CC)NC(=O)C(Cc2ccccc2)NC)C |
