PRD_000216
Summary
| Name: | LEUPEPTIN |
| Formula: | C20 H41 N6 O5 |
| Fomular weight: | 445.577 |
| Component type: | peptide-like |
| Polymer sequences: | ACE, LEU, LEU, AR7 |
| Non-polymer components: | |
| BIRD class: | Enzyme Inhibitor |
| Represented as: | polymer |
| Families: | FAM_000089 |
| Program | Version | Name |
| ACDLabs | 12.01 | N-acetyl-L-leucyl-N-[(2S)-5-{[amino(iminio)methyl]amino}-1,1-dihydroxypentan-2-yl]-L-leucinamide |
| OpenEye OEToolkits | 1.7.6 | [[[(4S)-4-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5,5-bis(oxidanyl)pentyl]amino]-azanyl-methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(CCCNC(=[NH2+])/N)C(O)O)C(NC(=O)C(NC(=O)C)CC(C)C)CC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C20H40N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16,19,30-31H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H4,21,22,23)/p+1 |
| InChIKey | InChI | 1.03 | RBEQQMKHJLRJKG-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(O)O |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](NC(C)=O)C(=O)N[CH](CC(C)C)C(=O)N[CH](CCCNC(N)=[NH2+])C(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(O)O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=[NH2+])N)C(O)O)NC(=O)C |
