ZX1
Summary
| Name: | (3R)-1-[(4R)-AZEPAN-4-YLCARBAMOYL]-3-(SULFOAMINO)-L-PROLINE |
| Formula: | C12 H22 N4 O6 S |
| Formal charge: | 0 |
| Formula weight: | 350.391 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R)-1-[(4R)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline |
| OpenEye OEToolkits | 1.6.1 | (2S,3R)-1-[[(4R)-azepan-4-yl]carbamoyl]-3-(sulfoamino)pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)NC2C(C(=O)O)N(C(=O)NC1CCCNCC1)CC2 |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)[C@@H]1[C@@H](CCN1C(=O)N[C@@H]2CCCNCC2)N[S](O)(=O)=O |
| SMILES | CACTVS | 3.352 | OC(=O)[CH]1[CH](CCN1C(=O)N[CH]2CCCNCC2)N[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C1C[C@H](CCNC1)NC(=O)N2CC[C@H]([C@H]2C(=O)O)NS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | C1CC(CCNC1)NC(=O)N2CCC(C2C(=O)O)NS(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H22N4O6S/c17-11(18)10-9(15-23(20,21)22)4-7-16(10)12(19)14-8-2-1-5-13-6-3-8/h8-10,13,15H,1-7H2,(H,14,19)(H,17,18)(H,20,21,22)/t8-,9-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | WWLDRJMXWRULQB-BBBLOLIVSA-N |
