AG6
Summary
| Name: | N-[(benzyloxy)carbonyl]-L-alpha-glutamyl-N-[(1S)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-L-phenylalaninamide |
| Formula: | C35 H39 N3 O7 |
| Formal charge: | 0 |
| Formula weight: | 613.7 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (4S)-5-oxo-5-[[(2S)-1-oxo-1-[[(4S)-1-oxo-1-phenyl-hept-2-en-4-yl]amino]-3-phenyl-propan-2-yl]amino]-4-(phenylmethoxycarbonylamino)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc2ccccc2)\C=C/C(=O)c3ccccc3 |
| SMILES | CACTVS | 3.352 | CCC[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CCC(O)=O)NC(=O)OCc2ccccc2)C=CC(=O)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CCC[C@@H](C=CC(=O)c1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)OCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.6.1 | CCCC(C=CC(=O)c1ccccc1)NC(=O)C(Cc2ccccc2)NC(=O)C(CCC(=O)O)NC(=O)OCc3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C35H39N3O7/c1-2-12-28(19-21-31(39)27-17-10-5-11-18-27)36-34(43)30(23-25-13-6-3-7-14-25)37-33(42)29(20-22-32(40)41)38-35(44)45-24-26-15-8-4-9-16-26/h3-11,13-19,21,28-30H,2,12,20,22-24H2,1H3,(H,36,43)(H,37,42)(H,38,44)(H,40,41)/t28-,29-,30-/m0/s1 |
| InChIKey | InChI | 1.03 | LKWUEIKYVLZLJI-DTXPUJKBSA-N |
