175
Summary
Name: | 3,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-4-ON |
Formula: | C8 H16 N4 O3 |
Formal charge: | 0 |
Formula weight: | 216.238 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | [(2S,4S)-2-[(1S)-1-aminoethyl]-4-(aminomethyl)-5-oxoimidazolidin-1-yl]acetic acid |
OpenEye OEToolkits | 1.5.0 | 2-[2-[(1S)-1-aminoethyl]-4-(aminomethyl)-5-oxo-imidazolidin-1-yl]ethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1N(CC(=O)O)C(NC1CN)C(N)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](N)[C@H]1N[C@@H](CN)C(=O)N1CC(O)=O |
SMILES | CACTVS | 3.341 | C[CH](N)[CH]1N[CH](CN)C(=O)N1CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C1NC(C(=O)N1CC(=O)O)CN)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C1NC(C(=O)N1CC(=O)O)CN)N |
InChI | InChI | 1.03 | InChI=1S/C8H16N4O3/c1-4(10)7-11-5(2-9)8(15)12(7)3-6(13)14/h4-5,7,11H,2-3,9-10H2,1H3,(H,13,14)/t4-,5-,7-/m0/s1 |
InChIKey | InChI | 1.03 | MOTCYKZNVUEYFO-VPLCAKHXSA-N |