PRD_002309
Summary
| Name: | N2-(phenylacetyl)-D-lysyl-D-lysyl-D-arginine |
| Formula: | C26 H45 N8 O5 |
| Fomular weight: | 549.686 |
| Component type: | peptide-like |
| Polymer sequences: | PAC, DLY, DLY, DAR |
| Non-polymer components: | |
| BIRD class: | Enzyme inhibitor |
| Represented as: | polymer |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [azanyl-[[(4~{R})-4-[[(2~{R})-6-azanyl-2-[[(2~{R})-6-azanyl-2-(2-phenylethanoylamino)hexanoyl]amino]hexanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentyl]amino]methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H44N8O5/c27-14-6-4-11-19(32-22(35)17-18-9-2-1-3-10-18)23(36)33-20(12-5-7-15-28)24(37)34-21(25(38)39)13-8-16-31-26(29)30/h1-3,9-10,19-21H,4-8,11-17,27-28H2,(H,32,35)(H,33,36)(H,34,37)(H,38,39)(H4,29,30,31)/p+1/t19-,20-,21-/m1/s1 |
| InChIKey | InChI | 1.06 | XHVGUCXLWRVFJQ-NJDAHSKKSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=[NH2+])C(O)=O |
| SMILES | CACTVS | 3.385 | NCCCC[CH](NC(=O)Cc1ccccc1)C(=O)N[CH](CCCCN)C(=O)N[CH](CCCNC(N)=[NH2+])C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=[NH2+])N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=[NH2+])N)C(=O)O |
