T4F
Summary
| Name: | (2~{S})-6-azanyl-2-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{R},2~{S},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]hepta nyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid |
| Synonyms: | tafCPB |
| Formula: | C25 H46 N4 O5 S |
| Formal charge: | 0 |
| Formula weight: | 514.722 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-6-azanyl-2-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{R},2~{S},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H46N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1 |
| InChIKey | InChI | 1.03 | IQHARPQKKWCGEY-PHGOAHNDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC3CCCCC3)N[S](=O)(=O)N[C@@H](CCCCN)C(O)=O |
| SMILES | CACTVS | 3.385 | CC1(C)[CH]2CC[C]1(C)[CH](C2)NC(=O)[CH](CC3CCCCC3)N[S](=O)(=O)N[CH](CCCCN)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)[C@H](CC3CCCCC3)NS(=O)(=O)N[C@@H](CCCCN)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(C2CCC1(C(C2)NC(=O)C(CC3CCCCC3)NS(=O)(=O)NC(CCCCN)C(=O)O)C)C |
