A1JNO
Summary
| Name: | [(2~{S},3~{S})-3-[2-(1~{H}-indol-3-yl)ethanoylamino]-4-oxidanylidene-butan-2-yl]sulfamic acid |
| Formula: | C14 H17 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 339.367 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{S})-3-[2-(1~{H}-indol-3-yl)ethanoylamino]-4-oxidanylidene-butan-2-yl]sulfamic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H17N3O5S/c1-9(17-23(20,21)22)13(8-18)16-14(19)6-10-7-15-12-5-3-2-4-11(10)12/h2-5,7-9,13,15,17H,6H2,1H3,(H,16,19)(H,20,21,22)/t9-,13+/m0/s1 |
| InChIKey | InChI | 1.06 | FEVJVGGIZVCVCL-TVQRCGJNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N[S](O)(=O)=O)[C@H](NC(=O)Cc1c[nH]c2ccccc12)C=O |
| SMILES | CACTVS | 3.385 | C[CH](N[S](O)(=O)=O)[CH](NC(=O)Cc1c[nH]c2ccccc12)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]([C@@H](C=O)NC(=O)Cc1c[nH]c2c1cccc2)NS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C=O)NC(=O)Cc1c[nH]c2c1cccc2)NS(=O)(=O)O |
