L-Tryptophyl-L-proline

C₁₆H₁₉N₃O₃CAS 38136-75-3301.35 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Primary amine

Properties

Molecular formula: C₁₆H₁₉N₃O₃
Molar mass: 301.35 g/mol
Exact mass: 301.1426 Da
logP: 1.11Crippen estimate
Polar surface area: 99.4 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 4
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

38136-75-3

SMILES

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)O

InChIKey

DXYQIGZZWYBXSD-JSGCOSHPSA-N

InChI

InChI=1S/C16H19N3O3/c17-12(15(20)19-7-3-6-14(19)16(21)22)8-10-9-18-13-5-2-1-4-11(10)13/h1-2,4-5,9,12,14,18H,3,6-8,17H2,(H,21,22)/t12-,14-/m0/s1

Weigh it out

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

Names and synonyms

11 names

L-Proline, L-tryptophyl-
L-Proline, 1-L-tryptophyl-
Trp-pro
32: PN: WO03052099 PAGE: 84 claimed protein
470: PN: EP2161028 TABLE: 5 claimed protein
52: PN: WO2014063098 TABLE: 5 claimed sequence
94: PN: WO2011146121 PAGE: 115 claimed sequence
163: PN: US20130123467 SEQID: 198 claimed protein
324: PN: WO2013130683 TABLE: 7 claimed protein
15: PN: JP2014079213 TABLE: 2 claimed sequence
13: PN: RU2524663 TABLE: 1 claimed sequence

Work with L-Tryptophyl-L-proline

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

D-Tryptophan153-94-667 % similar (±)-Tryptophan54-12-667 % similar Indole-3-lactic acid1821-52-953 % similar Thymogen38101-59-651 % similar L-Tryptophanylglycine7360-09-050 % similar (±)-5-Hydroxytryptophan114-03-449 % similar 5-Hydroxytryptophan4350-09-849 % similar L-Tryptophanamide hydrochloride5022-65-149 % similar

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

Same formula

Febrifugine24159-07-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook