Fmoc-N-me-arg(pbf)-oh

C₃₅H₄₂N₄O₇SCAS 913733-27-4662.80 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether Guanidine Sulfonamide

Properties

Molecular formula: C₃₅H₄₂N₄O₇S
Molar mass: 662.80 g/mol
Exact mass: 662.2774 Da
logP: 5.03Crippen estimate
Polar surface area: 160.6 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 10
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

913733-27-4

SMILES

CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)N(C)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C

InChIKey

MEGKXARLCPKZHJ-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)38-33(36)37-17-11-16-29(32(40)41)39(6)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,40,41)(H3,36,37,38)/t29-/m0/s1

Weigh it out

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

Work with Fmoc-N-me-arg(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

(S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-5-(3-((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl)guanidino)pentanoic acid2135655-88-681 % similar N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine154445-77-956 % similar N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-ornithine187618-60-656 % similar H-Arg(pbf)-ome hcl257288-19-052 % similar Fmoc-N-methyl-L-norleucine112883-42-850 % similar Fmoc-N-me-D-orn(boc)-OH2044710-64-550 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-6-((tert-butoxycarbonyl)amino)hexanoic acid1793105-27-749 % similar Fmoc-N-me-lys(boc)-oh197632-76-149 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-arg(me,pbf)-oh1135616-49-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook