4CG
Summary
| Name: | (1R,2Z)-2-[(2R)-2-amino-3-(phosphonooxy)propylidene]cyclopentanecarboxylic acid |
| Formula: | C9 H16 N O6 P |
| Formal charge: | 0 |
| Formula weight: | 265.2 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,2Z)-2-[(2R)-2-amino-3-(phosphonooxy)propylidene]cyclopentanecarboxylic acid |
| OpenEye OEToolkits | 1.9.2 | (1R,2Z)-2-[(2R)-2-azanyl-3-phosphonooxy-propylidene]cyclopentane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(/C(CCC1)C(=O)O)=C/C(COP(O)(O)=O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H16NO6P/c10-7(5-16-17(13,14)15)4-6-2-1-3-8(6)9(11)12/h4,7-8H,1-3,5,10H2,(H,11,12)(H2,13,14,15)/b6-4-/t7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | ZRZOQCOIQJFVOY-QYPICMNDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CO[P](O)(O)=O)\C=C/1CCC[C@H]/1C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CO[P](O)(O)=O)C=C1CCC[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1C[C@H](/C(=C\[C@H](COP(=O)(O)O)N)/C1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1CC(C(=CC(COP(=O)(O)O)N)C1)C(=O)O |
