Boc-arg(mts)-oh

C20H32N4O6SCAS 68262-71-5456.56 g/mol

Open in Covalent MOL file
SOONHNOHOHNOOH2N
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.

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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

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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

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