AG0008ZK

1135616-49-7 | L-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino](methylimino)methyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-

AG0008ZK

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CAS Number	1135616-49-7
Catalog Number	AG0008ZK(AGN-PC-0WA1JZ)
Chemical Name	L-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino](methylimino)methyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[N'-methyl-N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoic acid
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
InChI Key	JAUPJPAADXVUGQ-LJAQVGFWSA-N
MDL Number	MFCD08064312
Molecular Formula	C35H42N4O7S
Molecular Weight	662.7956
SMILES	O=C(O)[C@H](CCCN/C(NS(=O)(C1=C(C)C(C)=C(OC(C)(C)C2)C2=C1C)=O)=N/C)NC(OCC3C4=C(C5=C3C=CC=C5)C=CC=C4)=O
Synonyms	Fmoc-Arg(Me,pbf)-OH, 1135616-49-7, Fmoc-Arg(Me)(Pbf)-OH, (S,Z)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(3-methyl-2-((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl)guanidino)pentanoic acid, Fmoc-Arg(Me, Pbf)-OH, AK-49269, DTXSID10855649, QCR-229, MFCD08064312, ZINC97950242, AKOS016002157, AKOS030212555, AKOS032961316, ACN-040883, AS-47147, SC-84678, ST24036482, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[N\'-methyl-N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoic acid, (S,E)-12-(9H-fluoren-9-yl)-10-oxo-3-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-ylsulfonylimino)-11-oxa-2,4,9-triazadodecane-8-carboxylic acid, (S,E)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-5-(((methylamino)(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-sulfonamido)methylene)amino)pentanoic acid, L-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino](methylimino)methyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-, N-alpha-(9-Fluorenylmethoxycarbonyl)-N-omega-methyl-N-omega'-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl)-L-arginine, N~2~-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-N~5~-[N'-methyl-N-(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-sulfonyl)carbamimidoyl]-L-ornithine, N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino](methylimino)methyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine,

Complexity	1230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	662.277g/mol
Formal Charge	0
Heavy Atom Count	47
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	662.802g/mol
Monoisotopic Mass	662.277g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	164A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number