A1L6Y
Summary
| Name: | (2S)-5-[bis(azanyl)methylideneamino]-2-[2-(2,2-diphenylethoxy)ethanoylamino]pentanoic acid |
| Synonyms: | SB290157 |
| Formula: | C22 H28 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 412.482 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-5-[bis(azanyl)methylideneamino]-2-[2-(2,2-diphenylethoxy)ethanoylamino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H28N4O4/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,26,27)(H,28,29)(H4,23,24,25)/t19-/m0/s1 |
| InChIKey | InChI | 1.06 | RRKKJYBCPXAJAO-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(N)=NCCC[C@H](NC(=O)COCC(c1ccccc1)c2ccccc2)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(N)=NCCC[CH](NC(=O)COCC(c1ccccc1)c2ccccc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(COCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(COCC(=O)NC(CCCN=C(N)N)C(=O)O)c2ccccc2 |
