7QA
Summary
| Name: | (2R,6S)-2-amino-6-(carboxyamino)-7-{[(1R)-1-carboxyethyl]amino}-7-oxoheptanoic acid |
| Formula: | C11 H19 N3 O7 |
| Formal charge: | 0 |
| Formula weight: | 305.284 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,6S)-2-amino-6-(carboxyamino)-7-{[(1R)-1-carboxyethyl]amino}-7-oxoheptanoic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{R},6~{S})-2-azanyl-6-(carboxyamino)-7-oxidanylidene-7-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CCCC(C(NC(C)C(O)=O)=O)NC(O)=O)(C(O)=O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H19N3O7/c1-5(9(16)17)13-8(15)7(14-11(20)21)4-2-3-6(12)10(18)19/h5-7,14H,2-4,12H2,1H3,(H,13,15)(H,16,17)(H,18,19)(H,20,21)/t5-,6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | HUCJTZSCCQLPOD-QYNIQEEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(=O)[C@H](CCC[C@@H](N)C(O)=O)NC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)[CH](CCC[CH](N)C(O)=O)NC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](C(=O)O)NC(=O)[C@H](CCC[C@H](C(=O)O)N)NC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(=O)O)NC(=O)C(CCCC(C(=O)O)N)NC(=O)O |
