AG002CK1

200115-86-2 | L-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-

AG002CK1

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CAS Number	200115-86-2
Catalog Number	AG002CK1(AGN-PC-0QR3ON)
Chemical Name	L-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-
EC Number	606-419-0
IUPAC Name	(2S)-2-amino-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]pentanoic acid
InChI	InChI=1S/C19H30N4O5S/c1-10-11(2)16(12(3)13-9-19(4,5)28-15(10)13)29(26,27)23-18(21)22-8-6-7-14(20)17(24)25/h14H,6-9,20H2,1-5H3,(H,24,25)(H3,21,22,23)/t14-/m0/s1
InChI Key	GVIXTVCDNCXXSH-AWEZNQCLSA-N
MDL Number	MFCD00236797
Molecular Formula	C19H30N4O5S
Molecular Weight	426.5303
SMILES	O=C(O)[C@@H](N)CCCNC(NS(=O)(C1=C(C)C(C)=C(OC(C)(C)C2)C2=C1C)=O)=N
Synonyms	h-arg(pbf)-oh, 200115-86-2, C19H30N4O5S, AK-41520, Arg(Pbf), AC1OLR8T, SCHEMBL3629875, SCHEMBL15406855, DTXSID20428601, GVIXTVCDNCXXSH-AWEZNQCLSA-N, KS-00000J2J, 0288AB, MFCD00236797, ZINC36208741, CS-W022735, AJ-92499, DS-13866, AX8019197, A7089, FT-0696159, ST24047344, omega-(2,2,4,6,7-Pentamethyl-2,3-dihydrobenzofuran-5-ylsulfonyl)-L-arginine, (2S)-2-amino-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]pentanoic acid, (E)-N~5~-(amino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methylidene)-L-ornithine, (S)-2-Amino-5-(3-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-ylsulfonyl) guanidino)pentanoic acid, H-Arg -OH, H-Arg(Pbf)-OH - 5G 5g, ACN-033015, CID7408375, CID 7408377, (S)-2-amino-5-(3-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-ylsulfonyl)guanidino)pentanoic acid,

Complexity	733
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	426.194g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	426.532g/mol
Monoisotopic Mass	426.194g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	166A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1

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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