L-Lysine, glycyl-L-histidyl-, monoacetate

C16H28N6O6CAS 72957-37-0400.44 g/mol

Open in Covalent MOL file
OOHNH2HNONHNHNOH2NOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C16H28N6O6
Molar mass
400.44 g/mol
Exact mass
400.2070 Da
logP
-0.13Crippen estimate
Polar surface area
220.5 Ų
H-bond donors / acceptors
7 / 7
Rotatable bonds
11
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
72957-37-0
SMILES
CC(=O)O.NCCCC[C@H](N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)CN)C(=O)O
InChIKey
MGNUTAFMLGJBGV-ACMTZBLWSA-N
InChI
InChI=1S/C14H24N6O4.C2H4O2/c15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9;1-2(3)4/h7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24);1H3,(H,3,4)/t10-,11-;/m0./s1

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Names and synonyms

1 names
  • L-Lysine, N2-(N-glycyl-L-histidyl)-, monoacetate

Work with L-Lysine, glycyl-L-histidyl-, monoacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Acetic acid64-19-7Free acid (2H3)Acetic (2H)acid1186-52-3Free acid, labelled Copper peptide ghk-cu49557-75-7Free base Potassium acetate127-08-2Salt Aluminium diacetate142-03-0Salt Calcium acetate62-54-4Salt Copper(II) acetate142-71-2Salt Mercury(II) acetate1600-27-7Salt Lead(II) acetate301-04-2Salt Aluminium triacetate139-12-8Salt 4-Aminophenylmercuric acetate6283-24-5Salt Basic lead acetate1335-32-6Salt

Similar compounds

Carnosine305-84-058 % similar Acetylcarnosine56353-15-249 % similar N-Acetyl-L-histidine2497-02-149 % similar N-Benzoyl-L-histidine5354-94-945 % similar (tert-Butoxycarbonyl)-L-histidine17791-52-543 % similar TSH-releasing hormone24305-27-943 % similar Pal-tripeptide-1147732-56-743 % similar Beta-alanylhistidine9001-99-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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