(S)-2-Acetamido-5-guanidinopentanoic acid dihydrate

C8H20N4O5CAS 210545-23-6252.27 g/mol

Open in Covalent MOL file
ONHNNH2NH2OHOH2OH2O
AmideCarboxylic acidGuanidine

Properties

Molecular formula
C8H20N4O5
Molar mass
252.27 g/mol
Exact mass
252.1434 Da
logP
-3.02Crippen estimate
Polar surface area
193.8 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
6
Stereocentres
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
210545-23-6
SMILES
CC(=O)N[C@@H](CCCN=C(N)N)C(=O)O.O.O
InChIKey
GCUXDHOAJIMUEB-ILKKLZGPSA-N
InChI
InChI=1S/C8H16N4O3.2H2O/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10;;/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11);2*1H2/t6-;;/m0../s1

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Names and synonyms

1 names
  • Ac-arg-oh 2H2O

Work with (S)-2-Acetamido-5-guanidinopentanoic acid dihydrate

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

Similar compounds

N-Acetyl-dl-norleucine7682-16-857 % similar Acetyl hexapeptide 381400634-44-753 % similar 2-Acetamidopentanoic acid7682-15-752 % similar Etelcalcetide1262780-97-151 % similar Fmoc-D-arg-oh130752-32-848 % similar Fmoc-L-arginine91000-69-048 % similar Tos-arg-oh1159-15-548 % similar Ac-glu(otbu)-oh84192-88-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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