NFK
Summary
Name: | N'-Formylkynurenine |
Synonyms: | (2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid |
Formula: | C11 H12 N2 O4 |
Formal charge: | 0 |
Formula weight: | 236.224 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid |
OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-4-(2-formamidophenyl)-4-oxidanylidene-butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(CC(c1ccccc1NC=O)=O)N |
InChI | InChI | 1.03 | InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)/t8-/m0/s1 |
InChIKey | InChI | 1.03 | BYHJHXPTQMMKCA-QMMMGPOBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC(=O)c1ccccc1NC=O)C(O)=O |
SMILES | CACTVS | 3.385 | N[CH](CC(=O)c1ccccc1NC=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)NC=O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)CC(C(=O)O)N)NC=O |