V45
Summary
| Name: | (2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide |
| Formula: | C23 H30 Cl N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 463.954 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-[5-[(3-chlorophenyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(CN(C(O1)=O)C(CC(C)C)C(=O)NC(CC2CCNC2=O)C=O)Cc3cccc(c3)Cl |
| InChI | InChI | 1.03 | InChI=1S/C23H30ClN3O5/c1-14(2)8-20(22(30)26-18(13-28)11-16-6-7-25-21(16)29)27-12-19(32-23(27)31)10-15-4-3-5-17(24)9-15/h3-5,9,13-14,16,18-20H,6-8,10-12H2,1-2H3,(H,25,29)(H,26,30)/t16-,18-,19?,20-/m0/s1 |
| InChIKey | InChI | 1.03 | HPMLVVHQNDVVJA-ZXBFEJPJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](N1C[C@H](Cc2cccc(Cl)c2)OC1=O)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](N1C[CH](Cc2cccc(Cl)c2)OC1=O)C(=O)N[CH](C[CH]3CCNC3=O)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)N2CC(OC2=O)Cc3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)CC(C(=O)NC(CC1CCNC1=O)C=O)N2CC(OC2=O)Cc3cccc(c3)Cl |
