Tos-arg-oh

C13H20N4O4SCAS 1159-15-5328.39 g/mol

Open in Covalent MOL file
SOONHNH2NNH2OOH
Carboxylic acidGuanidineSulfonamide

Properties

Molecular formula
C13H20N4O4S
Molar mass
328.39 g/mol
Exact mass
328.1205 Da
logP
-0.22Crippen estimate
Polar surface area
147.9 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1159-15-5
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChIKey
KFNRNFXZFIRNEO-NSHDSACASA-N
InChI
InChI=1S/C13H20N4O4S/c1-9-4-6-10(7-5-9)22(20,21)17-11(12(18)19)3-2-8-16-13(14)15/h4-7,11,17H,2-3,8H2,1H3,(H,18,19)(H4,14,15,16)/t11-/m0/s1

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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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