PRD_000350
Summary
| Name: | SUCCINYL-ALA-ALA-PRO-LYS |
| Formula: | C21 H36 N5 O8 |
| Fomular weight: | 486.539 |
| Component type: | peptide-like |
| Polymer sequences: | SIN, ALA, ALA, PRO, LYS |
| 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-6-ammonio-L-norleucine |
| OpenEye OEToolkits | 1.7.6 | [(5S)-6-oxidanyl-6-oxidanylidene-5-[[(2S)-1-[(2S)-2-[[(2S)-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]hexyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)O)CCCC[NH3+])C1N(C(=O)C(NC(=O)C(NC(=O)CCC(=O)O)C)C)CCC1 |
| InChI | InChI | 1.03 | InChI=1S/C21H35N5O8/c1-12(23-16(27)8-9-17(28)29)18(30)24-13(2)20(32)26-11-5-7-15(26)19(31)25-14(21(33)34)6-3-4-10-22/h12-15H,3-11,22H2,1-2H3,(H,23,27)(H,24,30)(H,25,31)(H,28,29)(H,33,34)/p+1 |
| InChIKey | InChI | 1.03 | GKSGBRRPQPPRLY-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](CCCC[NH3+])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](CCCC[NH3+])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](CCCC[NH3+])C(=O)O)NC(=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCC[NH3+])C(=O)O)NC(=O)CCC(=O)O |
