SZ0
Summary
| Name: | (2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxylic acid |
| Formula: | C21 H27 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 433.521 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.0 | (1S,2S,4R)-1-[(2R,3S)-3-azanyl-2-hydroxy-4-phenyl-butyl]-4-pyridin-4-ylsulfonyl-piperidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C2N(CC(O)C(N)Cc1ccccc1)CCC(C2)S(=O)(=O)c3ccncc3 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccccc1)[C@H](O)CN2CC[C@H](C[C@H]2C(O)=O)[S](=O)(=O)c3ccncc3 |
| SMILES | CACTVS | 3.370 | N[CH](Cc1ccccc1)[CH](O)CN2CC[CH](C[CH]2C(O)=O)[S](=O)(=O)c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C[C@@H]([C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)O)S(=O)(=O)c3ccncc3)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CC(C(CN2CCC(CC2C(=O)O)S(=O)(=O)c3ccncc3)O)N |
| InChI | InChI | 1.03 | InChI=1S/C21H27N3O5S/c22-18(12-15-4-2-1-3-5-15)20(25)14-24-11-8-17(13-19(24)21(26)27)30(28,29)16-6-9-23-10-7-16/h1-7,9-10,17-20,25H,8,11-14,22H2,(H,26,27)/t17-,18+,19+,20-/m1/s1 |
| InChIKey | InChI | 1.03 | BRDCMHZQQAMYPV-FUMNGEBKSA-N |
