1.0
2020-04-06 11:57:35 UTC
2020-04-06 23:43:22 UTC
FDB111968
Lysylarginine
C12H26N6O3
302.379
302.206638721
(2S)-5-carbamimidamido-2-[(2S)-2,6-diaminohexanamido]pentanoic acid
(2S)-5-carbamimidamido-2-[(2S)-2,6-diaminohexanamido]pentanoic acid
NCCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
InChI=1S/C12H26N6O3/c13-6-2-1-4-8(14)10(19)18-9(11(20)21)5-3-7-17-12(15)16/h8-9H,1-7,13-14H2,(H,18,19)(H,20,21)(H4,15,16,17)/t8-,9-/m0/s1
NPBGTPKLVJEOBE-IUCAKERBSA-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
Carboximidamides
Carboxylic acids
Fatty acids and conjugates
Guanidines
Hydrocarbon derivatives
Monoalkylamines
Monocarboxylic acids and derivatives
N-acyl amines
N-acyl-L-alpha-amino acids
Organic oxides
Organopnictogen compounds
Propargyl-type 1,3-dipolar organic compounds
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
Carboximidamide
Carboxylic acid
Fatty acid
Fatty acyl
Fatty amide
Guanidine
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
Organic 1,3-dipolar compound
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Primary aliphatic amine
Primary amine
Propargyl-type 1,3-dipolar organic compound
Secondary carboxylic acid amide
dipeptide
logp
-3.67
logs
-2.93
solubility
3.57e-01 g/l
logp
-3.9
pka_strongest_acidic
3.7
pka_strongest_basic
12.1
iupac
(2S)-5-carbamimidamido-2-[(2S)-2,6-diaminohexanamido]pentanoic acid
average_mass
302.379
mono_mass
302.206638721
smiles
NCCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
formula
C12H26N6O3
inchi
InChI=1S/C12H26N6O3/c13-6-2-1-4-8(14)10(19)18-9(11(20)21)5-3-7-17-12(15)16/h8-9H,1-7,13-14H2,(H,18,19)(H,20,21)(H4,15,16,17)/t8-,9-/m0/s1
inchikey
NPBGTPKLVJEOBE-IUCAKERBSA-N
polar_surface_area
180.34
refractivity
88.53
polarizability
32.43
rotatable_bond_count
11
acceptor_count
8
donor_count
7
physiological_charge
2
formal_charge
0
Specdb::CMs
155741
Specdb::MsMs
2347172
Specdb::MsMs
2347173
Specdb::MsMs
2347174
Specdb::MsMs
2591869
Specdb::MsMs
2591870
Specdb::MsMs
2591871
Specdb::NmrOneD
106478
Specdb::NmrOneD
106479
Specdb::NmrOneD
106480
Specdb::NmrOneD
106481
Specdb::NmrOneD
106482
Specdb::NmrOneD
106483
Specdb::NmrOneD
106484
Specdb::NmrOneD
106485
Specdb::NmrOneD
106486
Specdb::NmrOneD
106487
Specdb::NmrOneD
106488
Specdb::NmrOneD
106489
Specdb::NmrOneD
106490
Specdb::NmrOneD
106491
Specdb::NmrOneD
106492
Specdb::NmrOneD
106493
Specdb::NmrOneD
106494
Specdb::NmrOneD
106495
Specdb::NmrOneD
106496
Specdb::NmrOneD
106497
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