Boc-D-arg(tos)-oh

C₁₈H₂₈N₄O₆SCAS 61315-61-5428.50 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Guanidine Sulfonamide

Properties

Molecular formula: C₁₈H₂₈N₄O₆S
Molar mass: 428.50 g/mol
Exact mass: 428.1730 Da
logP: 1.35Crippen estimate
Polar surface area: 160.2 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 8
Stereocentres: Rin 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

61315-61-5

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC[C@H](C(=O)O)NC(=O)OC(C)(C)C)N

InChIKey

WBIIPXYJAMICNU-CQSZACIVSA-N

InChI

InChI=1S/C18H28N4O6S/c1-12-7-9-13(10-8-12)29(26,27)22-16(19)20-11-5-6-14(15(23)24)21-17(25)28-18(2,3)4/h7-10,14H,5-6,11H2,1-4H3,(H,21,25)(H,23,24)(H3,19,20,22)/t14-/m1/s1

Weigh it out

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

Work with Boc-D-arg(tos)-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[imino[[(4-methylphenyl)sulfonyl]amino]methyl]-L-ornithine13836-37-8

Similar compounds

Boc-arg(mts)-oh68262-71-576 % similar Tos-arg-oh1159-15-558 % similar Boc-N'-nitro-L-homoarginine28968-64-154 % similar N-(tert-Butoxycarbonyl)-P-toluenesulfonamide18303-04-352 % similar Fmoc-arg(boc)2-oh143824-77-550 % similar Boc-orn-oh21887-64-950 % similar Boc-D-cys(pMeBzl)-OH61925-78-850 % similar Boc-D-lys-oh106719-44-249 % similar

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

Elsewhere

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