X8N
Summary
| Name: | (2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid |
| Formula: | C19 H18 Cl N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 415.83 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[(2~{S})-3-[4-(3-chlorophenyl)phenyl]-1-oxidanylidene-1-(1~{H}-1,2,3,4-tetrazol-5-ylamino)propan-2-yl]oxypropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1nnn[NH]1)C(Cc1ccc(cc1)c1cccc(Cl)c1)OC(C)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C19H18ClN5O4/c1-11(18(27)28)29-16(17(26)21-19-22-24-25-23-19)9-12-5-7-13(8-6-12)14-3-2-4-15(20)10-14/h2-8,10-11,16H,9H2,1H3,(H,27,28)(H2,21,22,23,24,25,26)/t11-,16-/m0/s1 |
| InChIKey | InChI | 1.06 | YSQNVTHQOQFUOS-ZBEGNZNMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O[C@@H](Cc1ccc(cc1)c2cccc(Cl)c2)C(=O)Nc3[nH]nnn3)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](O[CH](Cc1ccc(cc1)c2cccc(Cl)c2)C(=O)Nc3[nH]nnn3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)O)O[C@@H](Cc1ccc(cc1)c2cccc(c2)Cl)C(=O)Nc3[nH]nnn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)O)OC(Cc1ccc(cc1)c2cccc(c2)Cl)C(=O)Nc3[nH]nnn3 |
