Thymopentin

C30H49N9O9CAS 69558-55-0679.78 g/mol

Open in Covalent MOL file
ONHOHOHONHOOHOHNONH2NHONH2NH2NNH2
AmideCarboxylic acidGuanidinePhenolPrimary 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 Ų
H-bond donors / acceptors
11 / 10
Rotatable bonds
22
Stereocentres
S, S, S, S, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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

Similar compounds

H-Tyr-gly-arg-lys-lys-arg-arg-gln-arg-arg-arg-oh191936-91-159 % similar Decapeptide-12137665-91-958 % similar Arginyl-arginyl-leucyl-isoleucyl-glutamyl-aspartyl-alanyl-glutamyl-tyrosyl-alanyl-alanyl-arginyl-glycine81156-93-658 % similar Angiotensin ii4474-91-357 % similar Asp-arg-val-tyr-ile-his-pro-phe acetate salt68521-88-055 % similar Elamipretide736992-21-554 % similar Dynorphin A (1-13)72957-38-151 % similar Cys-asp-pro-gly-tyr-ile-gly-ser-arg110590-60-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook