AG00H15F

913733-27-4 | Fmoc-N-Me-Arg(pbf)-OH

AG00H15F

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CAS Number	913733-27-4
Catalog Number	AG00H15F(AGN-PC-0VS5MN)
Chemical Name	Fmoc-N-Me-Arg(pbf)-OH
IUPAC Name	(2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)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)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
InChI Key	MEGKXARLCPKZHJ-LJAQVGFWSA-N
MDL Number	MFCD02094401
Molecular Formula	C35H42N4O7S
Molecular Weight	662.7956
SMILES	O=C(O)[C@H](CCCNC(NS(=O)(C1=C(C)C(C)=C(OC(C)(C)C2)C2=C1C)=O)=N)N(C(OCC3C4=C(C5=C3C=CC=C5)C=CC=C4)=O)C
Synonyms	Fmoc-N-Me-Arg(Pbf)-OH, 913733-27-4, FMOC-MEARG(PBF)-OH, SCHEMBL19401937, KS-00000PKE, (2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]pentanoic acid, MFCD02094401, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-5-(3-((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl)guanidino)pentanoic acid, DS-11681, (2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-benzofuran-5-yl)sulfonylamino]methylene]amino]-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]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]-methylamino]pentanoic acid, (2S)-5-[[amino-[(2,2,4,6,7-pentamethylcoumaran-5-yl)sulfonylamino]methylene]amino]-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]valeric acid, (2S)-5-[[azanyl-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]pentanoic acid, ACN-049825, N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N2-methyl-L-ornithine,

Complexity	1250
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	3
Isotope Atom Count	0
Molecular Weight	662.802g/mol
Monoisotopic Mass	662.277g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	169A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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