A1ILQ
Summary
| Name: | (2~{R})-2-azanyl-3-[[3-(phenylmethyl)-2~{H}-thiophen-5-yl]carbonylamino]propanoic acid |
| Formula: | C15 H18 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 306.38 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-3-[[3-(phenylmethyl)-2~{H}-thiophen-5-yl]carbonylamino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H18N2O3S/c16-12(15(19)20)8-17-14(18)13-7-11(9-21-13)6-10-4-2-1-3-5-10/h1-5,7,12,21H,6,8-9,16H2,(H,17,18)(H,19,20)/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | UBQLVUMTHGMNEN-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](CNC(=O)C1=[SH]CC(=C1)Cc2ccccc2)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CNC(=O)C1=[SH]CC(=C1)Cc2ccccc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC2=CC(=SC2)C(=O)NC[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC2=CC(=SC2)C(=O)NCC(C(=O)O)N |
