Thymopentin

C₃₀H₄₉N₉O₉CAS 69558-55-0679.78 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Guanidine Phenol Primary amine

Properties

Molecular formula: C₃₀H₄₉N₉O₉
Molar mass: 679.78 g/mol
Exact mass: 679.3653 Da
logP: -2.40Crippen estimate
Polar surface area: 327.7 Å²
H-bond donors / acceptors: 11 / 10
Rotatable bonds: 22
Stereocentres: S, S, 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

69558-55-0

SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)N

InChIKey

PSWFFKRAVBDQEG-YGQNSOCVSA-N

InChI

InChI=1S/C30H49N9O9/c1-16(2)24(28(46)38-22(29(47)48)14-17-8-10-18(40)11-9-17)39-27(45)21(15-23(41)42)37-26(44)20(7-3-4-12-31)36-25(43)19(32)6-5-13-35-30(33)34/h8-11,16,19-22,24,40H,3-7,12-15,31-32H2,1-2H3,(H,36,43)(H,37,44)(H,38,46)(H,39,45)(H,41,42)(H,47,48)(H4,33,34,35)/t19-,20-,21-,22-,24-/m0/s1

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Work with Thymopentin

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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