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

C₈H₂₀N₄O₅CAS 210545-23-6252.27 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Guanidine

Properties

Molecular formula: C₈H₂₀N₄O₅
Molar mass: 252.27 g/mol
Exact mass: 252.1434 Da
logP: -3.02Crippen estimate
Polar surface area: 193.8 Å²
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. Search the SDS library

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

Weigh it out

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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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