PRD_002425
Summary
| Name: | Drosocin |
| Formula: | C98 H166 N34 O24 |
| Fomular weight: | 2204.58 |
| Component type: | peptide-like |
| Polymer sequences: | GLY, LYS, PRO, ARG, PRO, TYR, SER, PRO, ARG, PRO, THR, SER, HIS, PRO, ARG, PRO, ILE, ARG, VAL |
| Non-polymer components: | |
| BIRD class: | Antimicrobial |
| Represented as: | polymer |
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | [[[(4~{S})-4-[[(2~{S})-1-[(2~{S})-6-azaniumyl-2-(2-azanylethanoylamino)hexanoyl]pyrrolidin-2-yl]carbonylamino]-5-[(2~{S})-2-[[(2~{S})-1-[[(2~{S})-1-[(2~{S})-2-[[(2~{S})-5-[[azaniumylidene(azanyl)methyl]amino]-1-[(2~{S})-2-[[(2~{S},3~{R})-1-[[(2~{S})-1-[[(2~{S})-1-[(2~{S})-2-[[(2~{S})-5-[[azaniumylidene(azanyl)methyl]amino]-1-[(2~{S})-2-[[(2~{S},3~{S})-1-[[(2~{S})-5-[[azaniumylidene(azanyl)methyl]amino]-1-[[(2~{S})-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1~{H}-imidazol-3-ium-4-yl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentyl]amino]-azanyl-methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]5CCCN5C(=O)[C@H](CO)NC(=O)[C@H](Cc6ccc(O)cc6)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]8CCCN8C(=O)[C@H](CCCC[NH3+])NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C(C)C)C(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](C)[CH](NC(=O)[CH]1CCCN1C(=O)[CH](CCCNC(N)=[NH2+])NC(=O)[CH]2CCCN2C(=O)[CH](Cc3c[nH]c[nH+]3)NC(=O)[CH](CO)NC(=O)[CH](NC(=O)[CH]4CCCN4C(=O)[CH](CCCNC(N)=[NH2+])NC(=O)[CH]5CCCN5C(=O)[CH](CO)NC(=O)[CH](Cc6ccc(O)cc6)NC(=O)[CH]7CCCN7C(=O)[CH](CCCNC(N)=[NH2+])NC(=O)[CH]8CCCN8C(=O)[CH](CCCC[NH3+])NC(=O)CN)[CH](C)O)C(=O)N[CH](CCCNC(N)=[NH2+])C(=O)N[CH](C(C)C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CO)NC(=O)[C@H](Cc6ccc(cc6)O)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CCCC[NH3+])NC(=O)CN |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(C)C(C(=O)NC(CCCNC(=[NH2+])N)C(=O)NC(C(C)C)C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCNC(=[NH2+])N)NC(=O)C2CCCN2C(=O)C(Cc3c[nH]c[nH+]3)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C4CCCN4C(=O)C(CCCNC(=[NH2+])N)NC(=O)C5CCCN5C(=O)C(CO)NC(=O)C(Cc6ccc(cc6)O)NC(=O)C7CCCN7C(=O)C(CCCNC(=[NH2+])N)NC(=O)C8CCCN8C(=O)C(CCCC[NH3+])NC(=O)CN |
