HHC
Summary
| Name: | ~{N}-[(2~{R})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-2-[(4~{R})-4-methanoyl-4,5-dihydro-1,3-thiazol-2-yl]pyridine-4-carboxamide |
| Formula: | C13 H15 N5 O4 S |
| Formal charge: | 0 |
| Formula weight: | 337.354 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{R})-2-[4-[[(2~{R})-2,3-bis(azanyl)-3-oxidanylidene-propyl]carbamoyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H15N5O4S/c14-7(10(15)19)4-17-11(20)6-1-2-16-8(3-6)12-18-9(5-23-12)13(21)22/h1-3,7,9H,4-5,14H2,(H2,15,19)(H,17,20)(H,21,22)/t7-,9+/m1/s1 |
| InChIKey | InChI | 1.06 | OCKXDMGUYKOZJM-APPZFPTMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](CNC(=O)c1ccnc(c1)C2=N[C@@H](CS2)C(O)=O)C(N)=O |
| SMILES | CACTVS | 3.385 | N[CH](CNC(=O)c1ccnc(c1)C2=N[CH](CS2)C(O)=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnc(cc1C(=O)NC[C@H](C(=O)N)N)C2=N[C@@H](CS2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc(cc1C(=O)NCC(C(=O)N)N)C2=NC(CS2)C(=O)O |
