N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-D-ornithine

C19H30N4O5SCAS 200116-81-0426.53 g/mol

Open in Covalent MOL file
SOOHNNHHNH2NOOHO
Carboxylic acidEtherGuanidinePrimary amineSulfonamide

Properties

Molecular formula
C19H30N4O5S
Molar mass
426.53 g/mol
Exact mass
426.1937 Da
logP
1.32Crippen estimate
Polar surface area
154.6 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
7
Stereocentres
Rin 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
200116-81-0
SMILES
Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@@H](N)C(=O)O)c(C)c2c1OC(C)(C)C2
InChIKey
GVIXTVCDNCXXSH-CQSZACIVSA-N
InChI
InChI=1S/C19H30N4O5S/c1-10-11(2)16(12(3)13-9-19(4,5)28-15(10)13)29(26,27)23-18(21)22-8-6-7-14(20)17(24)25/h14H,6-9,20H2,1-5H3,(H,24,25)(H3,21,22,23)/t14-/m1/s1

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Names and synonyms

2 names
  • D-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-
  • N5-((((2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl)amino)iminomethyl)-D-ornithine

Work with N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-D-ornithine

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

N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(1,1-dimethylethoxy)carbonyl]-D-ornithine186698-61-371 % similar N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine154445-77-963 % similar N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-ornithine187618-60-663 % similar Fmoc-arg(me,pbf)-oh1135616-49-752 % similar H-Arg(pbf)-ome hcl257288-19-052 % similar (S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-5-(3-((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl)guanidino)pentanoic acid2135655-88-646 % similar Nomega-Propyl-L-arginine137361-05-845 % similar Fmoc-N-me-arg(pbf)-oh913733-27-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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