N'-(4-Methoxy-2,3,6-trimethylphenylsulfonyl)-L-arginine

C16H26N4O5SCAS 80745-10-4386.47 g/mol

Open in Covalent MOL file
SOONHNOHOH2NNH2O
Carboxylic acidEtherGuanidinePrimary amineSulfonamide

Properties

Molecular formula
C16H26N4O5S
Molar mass
386.47 g/mol
Exact mass
386.1624 Da
logP
0.41Crippen estimate
Polar surface area
157.1 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
80745-10-4
SMILES
CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)N)N)C)C)OC
InChIKey
FUSAEZSSVDNYPO-LBPRGKRZSA-N
InChI
InChI=1S/C16H26N4O5S/c1-9-8-13(25-4)10(2)11(3)14(9)26(23,24)20-16(18)19-7-5-6-12(17)15(21)22/h8,12H,5-7,17H2,1-4H3,(H,21,22)(H3,18,19,20)/t12-/m0/s1

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Names and synonyms

1 names
  • H-Arg(mtr)-oh

Work with N'-(4-Methoxy-2,3,6-trimethylphenylsulfonyl)-L-arginine

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-arg(mts)-oh68262-71-553 % similar H-Arg(pbf)-ome hcl257288-19-046 % similar L-Ornithine, N5-[imino[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with cyclohexanamine (1:1)80745-09-146 % similar N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N5-[imino[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methyl]-L-ornithine98930-01-945 % similar Boc-D-arg(tos)-oh61315-61-543 % similar N'-Nitro-D-arginine66036-77-942 % similar (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-5-(3-((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl)guanidino)pentanoic acid2135655-88-641 % similar N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-D-ornithine200116-81-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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