MUY
Summary
| Name: | (R)-[(S)-[(3S)-3-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid |
| Formula: | C19 H22 N3 O6 P |
| Formal charge: | 0 |
| Formula weight: | 419.368 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (R)-[(S)-[(3S)-3-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid |
| OpenEye OEToolkits | 2.0.7 | [(~{S})-[(3~{S})-3-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanylidene-azetidin-1-yl]-(4-hydroxyphenyl)methyl]-methyl-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1ccc(cc1)C(P(=O)(O)C)N2CC(C2=O)NC(=O)C(N)c3ccc(cc3)O |
| InChI | InChI | 1.03 | InChI=1S/C19H22N3O6P/c1-29(27,28)19(12-4-8-14(24)9-5-12)22-10-15(18(22)26)21-17(25)16(20)11-2-6-13(23)7-3-11/h2-9,15-16,19,23-24H,10,20H2,1H3,(H,21,25)(H,27,28)/t15-,16+,19-/m0/s1 |
| InChIKey | InChI | 1.03 | SAUAKDHLYZXRHJ-FCEWJHQRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[P](O)(=O)[C@H](N1C[C@H](NC(=O)[C@H](N)c2ccc(O)cc2)C1=O)c3ccc(O)cc3 |
| SMILES | CACTVS | 3.385 | C[P](O)(=O)[CH](N1C[CH](NC(=O)[CH](N)c2ccc(O)cc2)C1=O)c3ccc(O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CP(=O)([C@@H](c1ccc(cc1)O)N2C[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CP(=O)(C(c1ccc(cc1)O)N2CC(C2=O)NC(=O)C(c3ccc(cc3)O)N)O |
