MDB
Summary
| Name: | (S)-N-(cyclopentylmethyl)-N-(2-(hydroxyamino)-2-oxoethyl)-2-(3-(2-methoxyphenyl)ureido)-3,3-dimethylbutanamide |
| Formula: | C22 H34 N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 434.529 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2-methoxyphenyl)carbamoyl]-3-methyl-L-valyl-N~2~-(cyclopentylmethyl)-N-hydroxyglycinamide |
| OpenEye OEToolkits | 1.7.2 | (2S)-N-(cyclopentylmethyl)-2-[(2-methoxyphenyl)carbamoylamino]-3,3-dimethyl-N-[2-(oxidanylamino)-2-oxidanylidene-ethyl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccccc1OC)NC(C(=O)N(CC(=O)NO)CC2CCCC2)C(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C22H34N4O5/c1-22(2,3)19(24-21(29)23-16-11-7-8-12-17(16)31-4)20(28)26(14-18(27)25-30)13-15-9-5-6-10-15/h7-8,11-12,15,19,30H,5-6,9-10,13-14H2,1-4H3,(H,25,27)(H2,23,24,29)/t19-/m1/s1 |
| InChIKey | InChI | 1.03 | SGGVRJBZDBEGBH-LJQANCHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccccc1NC(=O)N[C@H](C(=O)N(CC2CCCC2)CC(=O)NO)C(C)(C)C |
| SMILES | CACTVS | 3.370 | COc1ccccc1NC(=O)N[CH](C(=O)N(CC2CCCC2)CC(=O)NO)C(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(C)(C)[C@@H](C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2ccccc2OC |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(C)(C)C(C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2ccccc2OC |
