AO5
Summary
| Name: | N'-((2S,3R)-3-AMINO-2-HYDROXY-5-(ISOPROPYLSULFANYL)PENTANOYL)-N-3-CHLOROBENZOYL HYDRAZIDE |
| Formula: | C15 H22 Cl N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 359.871 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-amino-1-{2-[(3-chlorophenyl)carbonyl]hydrazino}-3,4-dideoxy-5-S-(1-methylethyl)-5-thio-D-threo-pentose |
| OpenEye OEToolkits | 1.5.0 | N'-[(2S,3R)-3-amino-2-hydroxy-5-propan-2-ylsulfanyl-pentanoyl]-3-chloro-benzohydrazide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1cc(Cl)ccc1)NNC(=O)C(O)C(N)CCSC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)SCC[C@@H](N)[C@H](O)C(=O)NNC(=O)c1cccc(Cl)c1 |
| SMILES | CACTVS | 3.341 | CC(C)SCC[CH](N)[CH](O)C(=O)NNC(=O)c1cccc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)SCC[C@H]([C@@H](C(=O)NNC(=O)c1cccc(c1)Cl)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)SCCC(C(C(=O)NNC(=O)c1cccc(c1)Cl)O)N |
| InChI | InChI | 1.03 | InChI=1S/C15H22ClN3O3S/c1-9(2)23-7-6-12(17)13(20)15(22)19-18-14(21)10-4-3-5-11(16)8-10/h3-5,8-9,12-13,20H,6-7,17H2,1-2H3,(H,18,21)(H,19,22)/t12-,13+/m1/s1 |
| InChIKey | InChI | 1.03 | BYBVYIPUGPZRSX-OLZOCXBDSA-N |
