S7N
Summary
| Name: | (phenylmethyl) ~{N}-[(2~{R})-3-methyl-1-[[(2~{S})-1-[[(3~{S})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate |
| Synonyms: | Z-VAM-FMK zVAM.fmk |
| Formula: | C22 H33 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 451.58 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (phenylmethyl) ~{N}-[(2~{R})-3-methyl-1-[[(2~{S})-1-[[(3~{S})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H33N3O5S/c1-14(2)19(25-22(29)30-13-17-9-7-6-8-10-17)21(28)23-15(3)20(27)24-18(16(4)26)11-12-31-5/h6-10,14-15,18-19H,11-13H2,1-5H3,(H,23,28)(H,24,27)(H,25,29)/t15-,18-,19+/m0/s1 |
| InChIKey | InChI | 1.03 | XQQSDBOJVLTWFC-ZYSHUDEJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(C)=O |
| SMILES | CACTVS | 3.385 | CSCC[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](CCSC)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(CCSC)C(=O)C)NC(=O)OCc1ccccc1 |
