Glycyl-glycyl-valine

C₉H₁₇N₃O₄CAS 20274-89-9231.25 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₁₇N₃O₄
Molar mass: 231.25 g/mol
Exact mass: 231.1219 Da
logP: -1.71Crippen estimate
Polar surface area: 121.5 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

20274-89-9

SMILES

CC(C)[C@@H](C(=O)O)NC(=O)CNC(=O)CN

InChIKey

OLPPXYMMIARYAL-QMMMGPOBSA-N

InChI

InChI=1S/C9H17N3O4/c1-5(2)8(9(15)16)12-7(14)4-11-6(13)3-10/h5,8H,3-4,10H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)/t8-/m0/s1

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Names and synonyms

1 names

Glycyl-glycyl-L-valine

Work with Glycyl-glycyl-valine

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

Gly-D-val10521-49-080 % similar Glycylglycyl-L-leucine14857-82-064 % similar (R)-3-Isopropyl-2,5-piperazinedione143673-66-951 % similar (S)-3-Isopropyl-2,5-piperazinedione16944-60-851 % similar Leu-val13588-95-945 % similar N-Methyl-L-valine2480-23-144 % similar Benzoyl-dl-valine2901-80-643 % similar Glycyl-dl-norleucine1504-41-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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