[Leu5]-enkephalin

C₂₈H₃₇N₅O₇CAS 58822-25-6555.63 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Phenol Primary amine

Properties

Molecular formula: C₂₈H₃₇N₅O₇
Molar mass: 555.63 g/mol
Exact mass: 555.2693 Da
logP: -0.16Crippen estimate
Polar surface area: 199.9 Å²
H-bond donors / acceptors: 7 / 7
Rotatable bonds: 15
Stereocentres: S, 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

58822-25-6

SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N

InChIKey

URLZCHNOLZSCCA-VABKMULXSA-N

InChI

InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1

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

Names and synonyms

1 names

Leu-enkephalin

Work with [Leu5]-enkephalin

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

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

Elsewhere

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