AG002CK0

200116-81-0 | D-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-

AG002CK0

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CAS Number	200116-81-0
Catalog Number	AG002CK0(AGN-PC-0QR3YU)
Chemical Name	D-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-
EC Number	606-420-6
IUPAC Name	(2R)-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-/m1/s1
InChI Key	GVIXTVCDNCXXSH-CQSZACIVSA-N
MDL Number	MFCD00236798
Molecular Formula	C19H30N4O5S
Molecular Weight	426.5303
SMILES	CC1=C2C(=C(C)C(=C1C)[S](NC(=N)NCCC[C@H](C(=O)O)N)(=O)=O)CC(C)(C)O2
Synonyms	H-D-Arg(Pbf)-OH, 200116-81-0, C19H30N4O5S, AC1OLR8Z, GVIXTVCDNCXXSH-CQSZACIVSA-N, MFCD00236798, ZINC21991929, AKOS015963034, AC-8646, ACN-052189, (R)-2-amino-5-(3-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-ylsulfonyl)guanidino)pentanoic acid, ACM200116810, AK-42141, AS-15084, N937, SC-24737, AB0016151, AX8001104, A7095, FT-0643865, ST24030743, M-1032, 116A810, C-22181, Nomega-(2,2,4,6,7-Pentamethyl-2,3-dihydrobenzo[b]furan)-5-sulfonyl-D-arginine, (2R)-2-amino-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]pentanoic acid, D-Arg(Pbf), H-D-Arg(Pbf)-OH - 1G 1g, CH-248, CID7408377, CID 7408377, N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-D-ornithine, N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfon yl]amino]iminomethyl]-D-ornithine,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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