1.0
2020-04-06 12:24:04 UTC
2020-04-06 23:43:23 UTC
FDB112121
Tyrosyl-Gamma-glutamate
C14H19N3O5
309.3178
309.132470733
2-amino-5-[2-amino-3-(4-hydroxyphenyl)propanamido]-5-oxopentanoic acid
2-amino-5-[2-amino-3-(4-hydroxyphenyl)propanamido]-5-oxopentanoic acid
NC(CCC(=O)NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O
InChI=1S/C14H19N3O5/c15-10(14(21)22)5-6-12(19)17-13(20)11(16)7-8-1-3-9(18)4-2-8/h1-4,10-11,18H,5-7,15-16H2,(H,21,22)(H,17,19,20)
NHXCEHCKISFORA-UHFFFAOYSA-N
belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
Tyrosine and derivatives
Organic compounds
Organic acids and derivatives
Carboxylic acids and derivatives
Amino acids, peptides, and analogues
Aromatic homomonocyclic compounds
1-hydroxy-2-unsubstituted benzenoids
Alpha amino acid amides
Alpha amino acids
Amino acids
Amphetamines and derivatives
Aralkylamines
Carbonyl compounds
Carboxylic acids
Dicarboximides
Glutamine and derivatives
Hydrocarbon derivatives
Monoalkylamines
Monocarboxylic acids and derivatives
N-acyl amines
N-unsubstituted carboxylic acid imides
Organic oxides
Organopnictogen compounds
Phenylalanine and derivatives
1-hydroxy-2-unsubstituted benzenoid
Alpha-amino acid
Alpha-amino acid amide
Amine
Amino acid
Amphetamine or derivatives
Aralkylamine
Aromatic homomonocyclic compound
Benzenoid
Carbonyl group
Carboxylic acid
Carboxylic acid imide
Carboxylic acid imide, n-unsubstituted
Dicarboximide
Glutamine or derivatives
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Monocyclic benzene moiety
N-acyl-amine
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Phenol
Phenylalanine or derivatives
Primary aliphatic amine
Primary amine
Tyrosine or derivatives
logp
-2.10
logs
-2.92
solubility
3.72e-01 g/l
logp
-3.1
pka_strongest_acidic
2.02
pka_strongest_basic
9.15
iupac
2-amino-5-[2-amino-3-(4-hydroxyphenyl)propanamido]-5-oxopentanoic acid
average_mass
309.3178
mono_mass
309.132470733
smiles
NC(CCC(=O)NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O
formula
C14H19N3O5
inchi
InChI=1S/C14H19N3O5/c15-10(14(21)22)5-6-12(19)17-13(20)11(16)7-8-1-3-9(18)4-2-8/h1-4,10-11,18H,5-7,15-16H2,(H,21,22)(H,17,19,20)
inchikey
NHXCEHCKISFORA-UHFFFAOYSA-N
polar_surface_area
155.74
refractivity
77.13
polarizability
31.18
rotatable_bond_count
7
acceptor_count
7
donor_count
5
physiological_charge
0
formal_charge
0
Specdb::NmrOneD
107978
Specdb::NmrOneD
107979
Specdb::NmrOneD
107980
Specdb::NmrOneD
107981
Specdb::NmrOneD
107982
Specdb::NmrOneD
107983
Specdb::NmrOneD
107984
Specdb::NmrOneD
107985
Specdb::NmrOneD
107986
Specdb::NmrOneD
107987
Specdb::NmrOneD
107988
Specdb::NmrOneD
107989
Specdb::NmrOneD
107990
Specdb::NmrOneD
107991
Specdb::NmrOneD
107992
Specdb::NmrOneD
107993
Specdb::NmrOneD
107994
Specdb::NmrOneD
107995
Specdb::NmrOneD
107996
Specdb::NmrOneD
107997
Specdb::CMs
19360
Specdb::CMs
41150
Specdb::CMs
149499
Specdb::MsMs
309022
Specdb::MsMs
309023
Specdb::MsMs
309024
Specdb::MsMs
353353
Specdb::MsMs
353354
Specdb::MsMs
353355
Specdb::MsMs
2704994
Specdb::MsMs
2704995
Specdb::MsMs
2704996
Specdb::MsMs
3004473
Specdb::MsMs
3004474
Specdb::MsMs
3004475
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