PRD_001117
Summary
| Name: | Peptide aldehyde inhibitor Ac-NSFSQ-H |
| Formula: | C26 H39 N7 O10 |
| Fomular weight: | 609.629 |
| Component type: | peptide-like |
| Polymer sequences: | ACE, ASN, SER, PHE, SER, ECC |
| Non-polymer components: | |
| BIRD class: | Enzyme inhibitor |
| Represented as: | polymer |
| Families: | FAM_000348 |
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-acetyl-L-asparaginyl-L-seryl-L-phenylalanyl-N-[(2R)-5-amino-1-hydroxy-5-oxopentan-2-yl]-L-serinamide |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]butanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)N)CO)Cc1ccccc1)CO)CO |
| InChI | InChI | 1.03 | InChI=1S/C26H39N7O10/c1-14(37)29-18(10-22(28)39)24(41)33-20(13-36)26(43)31-17(9-15-5-3-2-4-6-15)23(40)32-19(12-35)25(42)30-16(11-34)7-8-21(27)38/h2-6,16-20,34-36H,7-13H2,1H3,(H2,27,38)(H2,28,39)(H,29,37)(H,30,42)(H,31,43)(H,32,40)(H,33,41)/t16-,17-,18+,19+,20+/m1/s1 |
| InChIKey | InChI | 1.03 | LWVNNXRFRKURJV-SLHNCBLASA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](CO)CCC(N)=O |
| SMILES | CACTVS | 3.370 | CC(=O)N[CH](CC(N)=O)C(=O)N[CH](CO)C(=O)N[CH](Cc1ccccc1)C(=O)N[CH](CO)C(=O)N[CH](CO)CCC(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)CO |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)NC(CCC(=O)N)CO |
