L-Phenylalanyl-L-alanine

C₁₂H₁₆N₂O₃CAS 3918-87-4236.27 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₂H₁₆N₂O₃
Molar mass: 236.27 g/mol
Exact mass: 236.1161 Da
Melting point: 241 °C (decomposes)
logP: 0.99Crippen estimate
Polar surface area: 95.9 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 5
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

3918-87-4

SMILES

C[C@H](N=C(O)[C@@H](N)Cc1ccccc1)C(=O)O

InChIKey

MIDZLCFIAINOQN-WPRPVWTQSA-N

InChI

InChI=1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1

Weigh it out

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

Names and synonyms

5 names

L-Alanine, L-phenylalanyl-
Alanine, N-(3-phenyl-L-alanyl)-, L-
L-Alanine, N-L-phenylalanyl-
Alanine, N-(3-phenyl-L-alanyl)-
20: PN: WO2011146121 PAGE: 114 claimed sequence

Work with L-Phenylalanyl-L-alanine

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

L-Phenylalanyl-L-phenylalanine2577-40-472 % similar Phenylalanine63-91-263 % similar D-Phenylalanine673-06-363 % similar L-Leucyl-L-alanine7298-84-259 % similar L-Aspartyl-L-phenylalanine13433-09-558 % similar N-[(Phenylmethoxy)carbonyl]-L-alanyl-L-alanine16012-70-758 % similar Benzyloxycarbonyl-L-alanine1142-20-754 % similar N-(Benzyloxycarbonyl)-dl-alanine4132-86-954 % similar

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

Same formula

Carbetamide16118-49-3 Alanylphenylalanine1999-45-7 L-Alanyl-L-phenylalanine3061-90-3

Elsewhere

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