H-Tyr-gly-gly-phe-met-oh

C₂₇H₃₅N₅O₇SCAS 58569-55-4573.67 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Phenol Primary amine Sulfide

Properties

Molecular formula: C₂₇H₃₅N₅O₇S
Molar mass: 573.67 g/mol
Exact mass: 573.2257 Da
logP: -0.46Crippen estimate
Polar surface area: 199.9 Å²
H-bond donors / acceptors: 7 / 8
Rotatable bonds: 16
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

58569-55-4

SMILES

CSCC[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

YFGBQHOOROIVKG-FKBYEOEOSA-N

InChI

InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1

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Names and synonyms

1 names

Metenkefalin

Work with H-Tyr-gly-gly-phe-met-oh

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

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

Elsewhere

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