62S
Summary
| Name: | [(2~{S})-3-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid |
| Formula: | C31 H35 N4 O6 P |
| Formal charge: | 0 |
| Formula weight: | 590.607 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S})-3-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C31H35N4O6P/c32-29(16-15-21-9-3-1-4-10-21)42(39,40)20-23(18-24-19-26(35-41-24)25-13-7-8-14-28(25)36)31(38)34-27(30(33)37)17-22-11-5-2-6-12-22/h1-14,19,23,27,29,36H,15-18,20,32H2,(H2,33,37)(H,34,38)(H,39,40)/t23-,27+,29-/m1/s1 |
| InChIKey | InChI | 1.03 | GSWUIYHGTPVQDP-FNHKZSGOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCc1ccccc1)[P](O)(=O)C[C@@H](Cc2onc(c2)c3ccccc3O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCc1ccccc1)[P](O)(=O)C[CH](Cc2onc(c2)c3ccccc3O)C(=O)N[CH](Cc4ccccc4)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2cc(no2)c3ccccc3O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCC(N)P(=O)(CC(Cc2cc(no2)c3ccccc3O)C(=O)NC(Cc4ccccc4)C(=O)N)O |
