L-Cystine bis(T-butyl ester) dihydrochloride

C14H30Cl2N2O4S2CAS 38261-78-8425.42 g/mol

Open in Covalent MOL file
OOSSOONH2NH2HClHCl
DisulfideEsterPrimary amine

Properties

Molecular formula
C14H30Cl2N2O4S2
Molar mass
425.42 g/mol
Exact mass
424.1024 Da
logP
2.55Crippen estimate
Polar surface area
104.6 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
7
Stereocentres
R, Rin 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
38261-78-8
SMILES
CC(C)(C)OC(=O)[C@H](CSSC[C@@H](C(=O)OC(C)(C)C)N)N.Cl.Cl
InChIKey
QEFUTIQOPVMOJQ-BZDVOYDHSA-N
InChI
InChI=1S/C14H28N2O4S2.2ClH/c1-13(2,3)19-11(17)9(15)7-21-22-8-10(16)12(18)20-14(4,5)6;;/h9-10H,7-8,15-16H2,1-6H3;2*1H/t9-,10-;;/m0../s1

Weigh it out

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Work with L-Cystine bis(T-butyl ester) dihydrochloride

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-Ser(tbu)-otbu hcl51537-21-467 % similar tert-Butyl (2S)-2-aminopentanoate hydrochloride119483-47-565 % similar H-D-Leu-otbu hcl13081-32-865 % similar H-Asp(otbu)-otbu hcl1791-13-565 % similar L-Leucine tert-butyl ester hydrochloride2748-02-965 % similar Cystine dimethyl ester dihydrochloride32854-09-463 % similar (R)-Di-tert-butyl 2-aminopentanedioate hydrochloride172793-31-662 % similar L-Glutamic acid di-tert-butyl ester hydrochloride32677-01-362 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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