AG002CL4

200191-00-0 | Cyclohexanamine (r)-2-(((benzyloxy)carbonyl)amino)-5-(n'-((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl)formohydrazonamido)pentanoate

AG002CL4

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CAS Number	200191-00-0
Catalog Number	AG002CL4(AGN-PC-0QR7FI)
Chemical Name	Cyclohexanamine (r)-2-(((benzyloxy)carbonyl)amino)-5-(n'-((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl)formohydrazonamido)pentanoate
IUPAC Name	(2R)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid;cyclohexanamine
InChI	InChI=1S/C27H36N4O7S.C6H13N/c1-16-17(2)23(18(3)20-14-27(4,5)38-22(16)20)39(35,36)31-25(28)29-13-9-12-21(24(32)33)30-26(34)37-15-19-10-7-6-8-11-19;7-6-4-2-1-3-5-6/h6-8,10-11,21H,9,12-15H2,1-5H3,(H,30,34)(H,32,33)(H3,28,29,31);6H,1-5,7H2/t21-;/m1./s1
InChI Key	VDQHDVIYBBISOZ-ZMBIFBSDSA-N
MDL Number	MFCD00237328
Molecular Formula	C33H49N5O7S
Molecular Weight	659.8365
SMILES	NC1CCCCC1.O=C(O)[C@H](NC(OCC2=CC=CC=C2)=O)CCCN/C=N/NS(=O)(C3=C(C)C(C)=C(OC(C)(C)C4)C4=C3C)=O
Synonyms	Z-D-ARG(PBF)-OH CHA, 200191-00-0, Z-D-Arg(Pbf)-OHHA, Z-D-Arg(Pbf)-OH inverted exclamation mark currencyCHA, Z-D-Arg(Pbf)-OH yenCHA, C33H49N5O7S, CZ-099, AS-19188, ST24046385, X5197, K-5848, Cyclohexanamine (R)-2-(((benzyloxy)carbonyl)amino)-5-(N-((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl)formohydrazonamido)pentanoate, N-alpha-Carbobenzoxy-N-omega-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl)-D-arginine cyclohexylammonium salt, Z-D-Arg(Pbf)-OH*CHA, Z-D-Arg(Pbf)-OH.CHA, Cyclohexanamine (R)-2-(((benzyloxy)carbonyl)amino)-5-(N'-((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl)formohydrazonamido)pentanoate,

Complexity	1040
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	659.33527g/mol
Formal Charge	0
Heavy Atom Count	46
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	659.8g/mol
Monoisotopic Mass	659.33527g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	204Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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