A1L7E
Summary
| Name: | (2~{S})-2-azanyl-3-(7-iodanyl-1~{H}-indol-3-yl)propanoic acid |
| Formula: | C11 H11 I N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 330.122 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-(7-iodanyl-1~{H}-indol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H11IN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | VOMLUUOHUWEUIZ-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1c[nH]c2c(I)cccc12)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1c[nH]c2c(I)cccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c[nH]c2c(c1)I)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c[nH]c2c(c1)I)CC(C(=O)O)N |
