PRD_002352
Summary
Name: | |
Formula: | C22 H31 N3 O7 |
Fomular weight: | 449.497 |
Component type: | peptide-like |
Polymer sequences: | PHQ, VAL, ALA, FL6, CF0 |
Non-polymer components: | |
BIRD class: | Inhibitor |
Represented as: | polymer |
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | methyl (3~{S})-3-[[(2~{S})-2-[[(2~{S})-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxidanylidene-pentanoate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)=O |
SMILES | CACTVS | 3.385 | COC(=O)C[CH](NC(=O)[CH](C)NC(=O)[CH](NC(=O)OCc1ccccc1)C(C)C)C(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)N[C@@H](CC(=O)OC)C(=O)C)NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)OC)C(=O)C)NC(=O)OCc1ccccc1 |