chempirical

Fmoc-arg(me,pbf)-oh

C35H42N4O7SCAS 1135616-49-7662.80 g/mol

Open in Covalent MOL file
OSOONHNHNOHONHOO
CarbamateCarboxylic acidEtherGuanidineSulfonamide

Properties

Molecular formula
C35H42N4O7S
Molar mass
662.80 g/mol
Exact mass
662.2774 Da
logP
4.95Crippen estimate
Polar surface area
155.4 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
10
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1135616-49-7
SMILES
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NC)NCCC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C
InChIKey
JAUPJPAADXVUGQ-LJAQVGFWSA-N
InChI
InChI=1S/C35H42N4O7S/c1-20-21(2)31(22(3)27-18-35(4,5)46-30(20)27)47(43,44)39-33(36-6)37-17-11-16-29(32(40)41)38-34(42)45-19-28-25-14-9-7-12-23(25)24-13-8-10-15-26(24)28/h7-10,12-15,28-29H,11,16-19H2,1-6H3,(H,38,42)(H,40,41)(H2,36,37,39)/t29-/m0/s1

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Work with Fmoc-arg(me,pbf)-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

N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine154445-77-968 % similar N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-ornithine187618-60-668 % similar Fmoc-D-orn(boc)-oh118476-89-453 % similar N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-D-ornithine200116-81-052 % similar N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(1,1-dimethylethoxy)carbonyl]-D-ornithine186698-61-351 % similar Fmoc-L-citrulline133174-15-950 % similar Fmoc-D-nle-oh112883-41-748 % similar Fmoc-dab(boc)-oh125238-99-548 % similar

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

Elsewhere

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