chempirical

L-Alanyl-L-leucine

C9H18N2O3CAS 3303-34-2202.25 g/mol

Open in Covalent MOL file
NHONH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C9H18N2O3
Molar mass
202.25 g/mol
Exact mass
202.1317 Da
logP
0.79Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
5
Stereocentres
S, 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
3303-34-2
SMILES
CC(C)C[C@H](N=C(O)[C@H](C)N)C(=O)O
InChIKey
RDIKFPRVLJLMER-BQBZGAKWSA-N
InChI
InChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • L-Leucine, L-alanyl-
  • Leucine, N-L-alanyl-, L-
  • L-Leucine, N-L-alanyl-
  • Alanylleucine
  • H-Ala-leu-OH
  • NSC 89609
  • 1: PN: JP2007217358 SEQID: 1 claimed protein
  • 933: PN: EP2071334 SEQID: 994 claimed protein
  • 933: PN: WO2009077864 SEQID: 994 claimed protein
  • 72: PN: WO2014170713 SEQID: 178 claimed protein

Work with L-Alanyl-L-leucine

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.

DL-Alanyl-DL-leucine1999-42-4Stereo not defined

Similar compounds

L-Leucyl-L-leucine3303-31-973 % similar DL-Alanyl-DL-methionine1999-43-562 % similar Glycylleucine688-14-262 % similar Glycyl-L-leucine869-19-262 % similar Alanyl-glutamine39537-23-060 % similar L-Alanyl-L-alanine1948-31-859 % similar DL-Alanyl-DL-alanine2867-20-159 % similar D-Alanyl-D-alanine923-16-059 % similar

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

Same formula

1,1-Dimethylethyl 3-(aminomethyl)-3-hydroxy-1-azetidinecarboxylate1008526-71-3 4-(2-Hydroxyethyl)-piperazin-1-carboxylic acid ethyl ester14000-66-9 (3R,4R)-tert-Butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate148214-90-8 (3S,4S)-N-Boc-3-amino-4-hydroxypyrrolidine190792-74-6 L-Leucyl-L-alanine7298-84-2

Elsewhere

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