AG0039MD

154445-77-9 | FMOC-Arg(Pbf)-OH

AG0039MD

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CAS Number	154445-77-9
Catalog Number	AG0039MD(AGN-PC-0Q6QMQ)
Chemical Name	FMOC-Arg(Pbf)-OH
EC Number	604-954-4
IUPAC Name	(2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
InChI	InChI=1S/C34H40N4O7S/c1-19-20(2)30(21(3)26-17-34(4,5)45-29(19)26)46(42,43)38-32(35)36-16-10-15-28(31(39)40)37-33(41)44-18-27-24-13-8-6-11-22(24)23-12-7-9-14-25(23)27/h6-9,11-14,27-28H,10,15-18H2,1-5H3,(H,37,41)(H,39,40)(H3,35,36,38)/t28-/m0/s1
InChI Key	HNICLNKVURBTKV-NDEPHWFRSA-N
MDL Number	MFCD00235804
Molecular Formula	C34H40N4O7S
Molecular Weight	648.7690
SMILES	N=C(NS(=O)(C1=C(C)C(C)=C(OC(C)(C)C2)C2=C1C)=O)NCCC[C@@H](C(O)=O)NC(OCC3C4=C(C5=C3C=CC=C5)C=CC=C4)=O
Synonyms	Fmoc-Arg(Pbf)-OH, 154445-77-9, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(3-((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl)guanidino)pentanoic acid, Fmoc-L-arg(pbf)-OH, MFCD00235804, Nalpha-Fmoc-Nomega-Pbf-L-arginine, C34H40N4O7S, fmoc-arg(pbf), Fmoc-Arg(Pdf)-OH, PubChem9946, AC1Q2DEI, SCHEMBL3431396, SCHEMBL8302353, DTXSID10463228, HNICLNKVURBTKV-NDEPHWFRSA-N, ACT09731, ZINC4544808, CF-206, FC1243, AKOS015888151, AKOS015924226, AKOS032949739, CS-W019715, DS-13757, SC-01334, AB0011281, AB1002803, TL8006194, F0729, Fmoc-Arg(Pbf)-OH, >=98.0% (HPLC), FT-0081982, FT-0602017, ST24035791, EN300-67540, 45A779, M03398, Z-0125, A809534, J-300031, N-ALPHA-(9-FLUORENYLMETHOXYCARBONYL)-N-OMEGA-2,2,4, Fmoc-L-Arg(Pbf)-4-methoxybenzhydryl resin (100-200 mesh, > 0.4 mmol/g), Fmoc-L-Arg(Pbf)-4-methylbenzhydryl resin (100-200 mesh, > 0.3 mmol/g), Na-Fmoc-Ng-2,2,4,6,7-pentamethyl-dihydrobenzofuran-5-sulfonyl-L-arginine, Na-Fmoc-Nw-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl)-L-arginine, N-alpha-Fmoc-N'-2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl-L-arginine, N-alpha-Fmoc-N-g-(2,2,4,6,7-pentamethyl-dihydrobenzofuran-5-sulfonyl)-L-arginine, Nalpha-Fmoc-Nomega-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl)-L-arginine, (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-[1-(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-sulfonyl)carbamimidamido]pentanoic acid, (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-[1-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ylsulfonyl)carbamimidamido]pentanoic acid, (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-{1-[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]carbamimidamido}pentanoic acid, (2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]pentanoic acid, (2S)-5-[[azanyl-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid, (S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-5-(3-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-ylsulfonyl)guanidino)pentanoic acid, N|A-Fmoc-N|O-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl)-L-arginine; N|A-Fmoc-N|O-Pbf-L-arginine, Nalpha-[(9H-Fluoren-9-ylmethoxy)carbonyl]-Nomega-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl)-L-arginine, Nalpha-Fmoc-Nomega-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzo[b]furan-5-ylsulfonyl)-L-arginine, MFCD00801432, ACN-032992, CID 5060264, CID11354259, A7308, Methyl 2-(bromomethyl)-3,5-dinitrobenzoate, Nalpha-Fmoc-Nomega-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl)-L-arginine, 98% - 1G 1g, Nalpha-Fmoc-Nomega-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl)-L-arginine, 98% - 25G 25g,

Complexity	1210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	648.262g/mol
Formal Charge	0
Heavy Atom Count	46
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	648.775g/mol
Monoisotopic Mass	648.262g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	178A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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