chempirical

Boc-arg(mts)-oh

C20H32N4O6SCAS 68262-71-5456.56 g/mol

Open in Covalent MOL file
SOOHNNOOHNHOONH2
CarbamateCarboxylic acidGuanidineSulfonamide

Properties

Molecular formula
C20H32N4O6S
Molar mass
456.56 g/mol
Exact mass
456.2043 Da
logP
1.96Crippen estimate
Polar surface area
160.2 Ų
H-bond donors / acceptors
4 / 6
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. Search the SDS library

Identifiers

CAS number
68262-71-5
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)N)C
InChIKey
QXWQVNSGMVITAR-HNNXBMFYSA-N
InChI
InChI=1S/C20H32N4O6S/c1-12-10-13(2)16(14(3)11-12)31(28,29)24-18(21)22-9-7-8-15(17(25)26)23-19(27)30-20(4,5)6/h10-11,15H,7-9H2,1-6H3,(H,23,27)(H,25,26)(H3,21,22,24)/t15-/m0/s1

Weigh it out

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

Work with Boc-arg(mts)-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

Similar compounds

Boc-D-arg(tos)-oh61315-61-576 % similar Boc-N'-nitro-L-homoarginine28968-64-153 % similar N'-(4-Methoxy-2,3,6-trimethylphenylsulfonyl)-L-arginine80745-10-453 % similar Boc-orn-oh21887-64-948 % similar N-(tert-Butoxycarbonyl)-4-carbamoyl-2,6-dimethyl-L-phenylalanine623950-02-748 % similar Boc-D-lys-oh106719-44-248 % similar Fmoc-arg(boc)2-oh143824-77-547 % similar Boc-orn(boc)-oh57133-29-646 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook