N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(1,1-dimethylethoxy)carbonyl]-D-ornithine

C₂₄H₃₈N₄O₇SCAS 186698-61-3526.65 g/mol

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Carboxylic acid Ether Guanidine Sulfonamide

Properties

Molecular formula: C₂₄H₃₈N₄O₇S
Molar mass: 526.65 g/mol
Exact mass: 526.2461 Da
logP: 3.09Crippen estimate
Polar surface area: 170.4 Å²
H-bond donors / acceptors: 5 / 7
Rotatable bonds: 8
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

186698-61-3

SMILES

Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@@H](N=C(O)OC(C)(C)C)C(=O)O)c(C)c2c1OC(C)(C)C2

InChIKey

CVFXPOKENLGCID-QGZVFWFLSA-N

InChI

InChI=1S/C24H38N4O7S/c1-13-14(2)19(15(3)16-12-24(7,8)34-18(13)16)36(32,33)28-21(25)26-11-9-10-17(20(29)30)27-22(31)35-23(4,5)6/h17H,9-12H2,1-8H3,(H,27,31)(H,29,30)(H3,25,26,28)/t17-/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]-N2-[(1,1-dimethylethoxy)carbonyl]-
(2R)-5-[[Amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Work with N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(1,1-dimethylethoxy)carbonyl]-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-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine154445-77-974 % similar N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-ornithine187618-60-674 % similar N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-D-ornithine200116-81-071 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[imino[[(4-methylphenyl)sulfonyl]amino]methyl]-L-ornithine13836-37-865 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-L-ornithine2188-18-353 % similar N-tert-Butoxycarbonyl-L-arginine13726-76-652 % similar Fmoc-arg(me,pbf)-oh1135616-49-751 % similar D-Arginine, N2-[(1,1-dimethylethoxy)carbonyl]-, hydrochloride (1:1)113712-06-450 % similar

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

Elsewhere

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