| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 15 | Yes |
Popular Name: D-kynurenine D-kynurenine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13441-51-5 , 19185-26-3 , 2126-91-2 , 2922-83-0 , 343-65-7 , [13441-51-5] , [343-65-7]
(R)-2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid
(R)-2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid sulfuric acid (1:1)
(R)-2-Amino-4-(2-aminophenyl)-4-oxobutanoicacid
(R)-2-Amino-4-(2-aminophenyl)-4-oxobutanoicacidsulfuricacid(1:1)
(S)-2-Amino-4-(2-aminophenyl)-4-oxobutanoicacid
2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid
2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid compound with sulfuric acid (1:1)
3-Anthraniloylalanine; 343-65-7; C01718; Kynurenine
343-65-7; L-kynurenine; kynurenine
D-2-Amino-4-[2-aminophenyl]-4-oxobutanoic acid
DL-2-Amino-3-(2-aminobenzoyl)propionic acid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -2.18 | 2.2 | -31.16 | 5 | 5 | 0 | 111 | 208.217 | 4 | ↓ |
| Hi High (pH 8-9.5) | -2.18 | 1.88 | -46.12 | 4 | 5 | -1 | 109 | 207.209 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | 3HAO1_ASPCL; 3HAO1_ASPFC; 3HAO1_ASPFU; 3HAO1_ASPOR; 3HAO2_ASPCL; 3HAO2_ASPFC; 3HAO2_ASPFU; 3HAO2_ASPOR; 3HAO_ASHGO; 3HAO_ASPNC; 3HAO_ASPTN; 3HAO_BACAH; 3HAO_BACC1; 3HAO_BACC3; 3HAO_BOVIN; 3HAO_BURCJ; 3HAO_BURPP; 3HAO_BURS3; 3HAO_CAEBR; 3HAO_CAEEL; 3HAO_CA | ChEBI |
| Purity | 95% | Fluorochem |
| Patent Database Links | EP1649857; US2005090652; US2008076796; US2008132559; WO2007105203; WO2007124096 | ChEBI |
