chempirical

L-Aspartyl-L-phenylalanine

C13H16N2O5CAS 13433-09-5280.28 g/mol

Open in Covalent MOL file
NH2OOHONHOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C13H16N2O5
Molar mass
280.28 g/mol
Exact mass
280.1059 Da
logP
0.44Crippen estimate
Polar surface area
133.2 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
7
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
13433-09-5
SMILES
N[C@@H](CC(=O)O)C(O)=N[C@@H](Cc1ccccc1)C(=O)O
InChIKey
YZQCXOFQZKCETR-UWVGGRQHSA-N
InChI
InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10-/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • L-Phenylalanine, L-α-aspartyl-
  • Succinamic acid, 3-amino-N-(α-carboxyphenethyl)-, stereoisomer
  • L-Phenylalanine, N-L-α-aspartyl-
  • L-α-Aspartyl-L-phenylalanine
  • α-L-Aspartyl-L-phenylalanine
  • Demethylaspartame
  • α-Aspartylphenylalanine
  • 79: PN: WO2004069165 PAGE: 67 claimed protein

Work with L-Aspartyl-L-phenylalanine

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-phenylalanine2577-40-479 % similar Aspartame22839-47-071 % similar Alanylphenylalanine1999-45-765 % similar L-Alanyl-L-phenylalanine3061-90-365 % similar Glycylphenylalanine3321-03-760 % similar Glycylphenylalanine721-66-460 % similar L-Phenylalanyl-L-alanine3918-87-458 % similar Benzoyl-L-phenylalanine2566-22-557 % similar

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

Same formula

Z-D-Gln-oh13139-52-1 4-Butyrylamino-3-methyl-5-nitrobenzoic acid methyl ester152628-01-8 N2-[(Phenylmethoxy)carbonyl]-L-glutamine2650-64-8

Elsewhere

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