PRD_002275
Summary
| Name: | |
| Formula: | C35 H59 N14 O13 |
| Fomular weight: | 883.929 |
| Component type: | peptide-like |
| Polymer sequences: | ARG, GLY, ASP, ILE, ASN, ASN, ASN, VAL |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [azanyl-[3-[(2~{S},8~{S},11~{S},14~{S},17~{S},20~{S},23~{S})-14,17,20-tris(2-azanyl-2-oxidanylidene-ethyl)-11-[(2~{S})-butan-2-yl]-8-(2-hydroxy-2-oxoethyl)-3,6,9,12,15,18,21,24-octakis(oxidanylidene)-23-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]propylamino]methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(C)C |
| SMILES | CACTVS | 3.385 | CC[CH](C)[CH]1NC(=O)[CH](CC(O)=O)NC(=O)CNC(=O)[CH](CCCNC(N)=[NH2+])NC(=O)[CH](NC(=O)[CH](CC(N)=O)NC(=O)[CH](CC(N)=O)NC(=O)[CH](CC(N)=O)NC1=O)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)CC(=O)O)CCCNC(=[NH2+])N)C(C)C)CC(=O)N)CC(=O)N)CC(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1)CC(=O)O)CCCNC(=[NH2+])N)C(C)C)CC(=O)N)CC(=O)N)CC(=O)N |
