ONV
Summary
| Name: | 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid |
| Formula: | C22 H20 Cl N3 O7 |
| Formal charge: | 0 |
| Formula weight: | 473.863 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-[(1~{S})-1-[[5-chloranyl-6-[[(5~{S})-2-oxidanylidene-1,3-oxazolidin-5-yl]methoxy]-1~{H}-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C4(COc1c(Cl)cc3c(c1)nc(C(NC(c2ccc(C(=O)O)cc2)CO)=O)c3)CNC(O4)=O |
| InChI | InChI | 1.03 | InChI=1S/C22H20ClN3O7/c23-15-5-13-6-17(25-16(13)7-19(15)32-10-14-8-24-22(31)33-14)20(28)26-18(9-27)11-1-3-12(4-2-11)21(29)30/h1-7,14,18,25,27H,8-10H2,(H,24,31)(H,26,28)(H,29,30)/t14-,18+/m0/s1 |
| InChIKey | InChI | 1.03 | HSLVBDMYOQHSSR-KBXCAEBGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](NC(=O)c1[nH]c2cc(OC[C@@H]3CNC(=O)O3)c(Cl)cc2c1)c4ccc(cc4)C(O)=O |
| SMILES | CACTVS | 3.385 | OC[CH](NC(=O)c1[nH]c2cc(OC[CH]3CNC(=O)O3)c(Cl)cc2c1)c4ccc(cc4)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[C@@H](CO)NC(=O)c2cc3cc(c(cc3[nH]2)OC[C@@H]4CNC(=O)O4)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(CO)NC(=O)c2cc3cc(c(cc3[nH]2)OCC4CNC(=O)O4)Cl)C(=O)O |
