1.0
2020-04-06 11:58:17 UTC
2020-04-06 23:43:22 UTC
FDB111972
Lysylglutamine
C11H22N4O4
274.321
274.164105204
(2S)-4-carbamoyl-2-[(2S)-2,6-diaminohexanamido]butanoic acid
(2S)-4-carbamoyl-2-[(2S)-2,6-diaminohexanamido]butanoic acid
NCCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O
InChI=1S/C11H22N4O4/c12-6-2-1-3-7(13)10(17)15-8(11(18)19)4-5-9(14)16/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)/t7-,8-/m0/s1
OAPNERBWQWUPTI-YUMQZZPRSA-N
belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
Dipeptides
Organic compounds
Organic acids and derivatives
Carboxylic acids and derivatives
Amino acids, peptides, and analogues
Aliphatic acyclic compounds
Alpha amino acid amides
Amino acids
Carbonyl compounds
Carboxylic acids
Fatty acids and conjugates
Glutamine and derivatives
Hydrocarbon derivatives
Monoalkylamines
Monocarboxylic acids and derivatives
N-acyl amines
N-acyl-L-glutamines
Organic oxides
Organopnictogen compounds
Primary carboxylic acid amides
Secondary carboxylic acid amides
Aliphatic acyclic compound
Alpha-amino acid amide
Alpha-amino acid or derivatives
Alpha-dipeptide
Amine
Amino acid
Amino acid or derivatives
Carbonyl group
Carboxamide group
Carboxylic acid
Fatty acid
Fatty acyl
Fatty amide
Glutamine or derivatives
Hydrocarbon derivative
Monocarboxylic acid or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
N-acyl-amine
N-acyl-l-alpha-amino acid
N-acyl-l-glutamine
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Primary aliphatic amine
Primary amine
Primary carboxylic acid amide
Secondary carboxylic acid amide
dipeptide
logp
-3.43
logs
-1.90
solubility
3.43e+00 g/l
logp
-4.8
pka_strongest_acidic
3.57
pka_strongest_basic
10.21
iupac
(2S)-4-carbamoyl-2-[(2S)-2,6-diaminohexanamido]butanoic acid
average_mass
274.321
mono_mass
274.164105204
smiles
NCCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O
formula
C11H22N4O4
inchi
InChI=1S/C11H22N4O4/c12-6-2-1-3-7(13)10(17)15-8(11(18)19)4-5-9(14)16/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)/t7-,8-/m0/s1
inchikey
OAPNERBWQWUPTI-YUMQZZPRSA-N
polar_surface_area
161.53
refractivity
67.72
polarizability
28.59
rotatable_bond_count
10
acceptor_count
6
donor_count
5
physiological_charge
1
formal_charge
0
Specdb::CMs
153524
Specdb::MsMs
2778443
Specdb::MsMs
2778444
Specdb::MsMs
2778445
Specdb::MsMs
2903538
Specdb::MsMs
2903539
Specdb::MsMs
2903540
Specdb::NmrOneD
14262
Specdb::NmrOneD
14263
Specdb::NmrOneD
14264
Specdb::NmrOneD
14265
Specdb::NmrOneD
14266
Specdb::NmrOneD
14267
Specdb::NmrOneD
14268
Specdb::NmrOneD
14269
Specdb::NmrOneD
14270
Specdb::NmrOneD
14271
Specdb::NmrOneD
14272
Specdb::NmrOneD
14273
Specdb::NmrOneD
14274
Specdb::NmrOneD
14275
Specdb::NmrOneD
14276
Specdb::NmrOneD
14277
Specdb::NmrOneD
14278
Specdb::NmrOneD
14279
Specdb::NmrOneD
14280
Specdb::NmrOneD
14281
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823