PRD_000351
Summary
| Name: | SUCCINYL-ALA-ALA-PRO-ARG |
| Formula: | C21 H36 N7 O8 |
| Fomular weight: | 514.553 |
| Component type: | peptide-like |
| Polymer sequences: | SIN, ALA, ALA, PRO, ARG |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | polymer |
| Families: | FAM_000222 |
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-L-prolyl-N~5~-[amino(iminio)methyl]-L-ornithine |
| OpenEye OEToolkits | 1.7.6 | [azanyl-[[(4S)-5-oxidanyl-5-oxidanylidene-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]pentyl]amino]methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)O)CCCNC(=[NH2+])\N)C1N(C(=O)C(NC(=O)C(NC(=O)CCC(=O)O)C)C)CCC1 |
| InChI | InChI | 1.03 | InChI=1S/C21H35N7O8/c1-11(25-15(29)7-8-16(30)31)17(32)26-12(2)19(34)28-10-4-6-14(28)18(33)27-13(20(35)36)5-3-9-24-21(22)23/h11-14H,3-10H2,1-2H3,(H,25,29)(H,26,32)(H,27,33)(H,30,31)(H,35,36)(H4,22,23,24)/p+1 |
| InChIKey | InChI | 1.03 | MQEPXLFPQSCISK-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](NC(=O)CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(O)=O |
| SMILES | CACTVS | 3.370 | C[CH](NC(=O)CCC(O)=O)C(=O)N[CH](C)C(=O)N1CCC[CH]1C(=O)N[CH](CCCNC(N)=[NH2+])C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)O)NC(=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCNC(=[NH2+])N)C(=O)O)NC(=O)CCC(=O)O |
