NFQ
Summary
Name: | N-[(E)-iminomethyl]-L-aspartic acid |
Synonyms: | N-formimino-L-Aspartate |
Formula: | C5 H8 N2 O4 |
Formal charge: | 0 |
Formula weight: | 160.128 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N-[(E)-iminomethyl]-L-aspartic acid |
OpenEye OEToolkits | 1.7.0 | (2S)-2-methanimidamidobutanedioic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(NC=[N@H])CC(=O)O |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C[C@H](NC=N)C(O)=O |
SMILES | CACTVS | 3.370 | OC(=O)C[CH](NC=N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C/N[C@@H](CC(=O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | C(C(C(=O)O)NC=N)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1 |
InChIKey | InChI | 1.03 | XTPIFIMCFHNJOH-VKHMYHEASA-N |