AG0018MY

13836-37-8 | L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino[[(4-methylphenyl)sulfonyl]amino]methyl]-

AG0018MY

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CAS Number	13836-37-8
Catalog Number	AG0018MY(AGN-PC-0PMLS3)
Chemical Name	L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino[[(4-methylphenyl)sulfonyl]amino]methyl]-
EC Number	237-549-2
IUPAC Name	(2S)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI	InChI=1S/C18H28N4O6S/c1-12-7-9-13(10-8-12)29(26,27)22-16(19)20-11-5-6-14(15(23)24)21-17(25)28-18(2,3)4/h7-10,14H,5-6,11H2,1-4H3,(H,21,25)(H,23,24)(H3,19,20,22)/t14-/m0/s1
InChI Key	WBIIPXYJAMICNU-AWEZNQCLSA-N
MDL Number	MFCD00065557
Molecular Formula	C18H28N4O6S
Molecular Weight	428.5031
SMILES	O=C(O)[C@H](CCCNC(NS(=O)(C1=CC=C(C)C=C1)=O)=N)NC(OC(C)(C)C)=O
Synonyms	Boc-Arg(Tos)-OH, 13836-37-8, Boc-Arg(Tos), J-300027, C18H28N4O6S, MFCD00065557, N(alpha)-boc-N(omega)-tosyl-L-arginine, L-Ornithine, N2-((1,1-dimethylethoxy)carbonyl)-N5-(imino(((4-methylphenyl)sulfonyl)amino)methyl)-, L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino[[(4-methylphenyl)sulfonyl]amino]methyl]-, N(2)-tert-Butoxycarbonyl-N(G)-tosyl-L-arginine, Nalpha-Boc-Nomega-tosyl-L-arginine, N-alpha-BOC-N-omega-Tosyl-L-arginine, 97%, contains <15% ethyl acetate, Boc-Arg(Tos)OH, EINECS 237-549-2, Boc-Arg(Ts), NSC 164058, Boc Arg (Tos)-OH, Boc-Arg (Tos)-OH, Boc-Arg(Tos)- OH, Boc-Arg(Tos)--OH, PubChem12923, AC1Q6U2W, BOC-Nomega -tosyl-L-arginine, AC1L364O, SCHEMBL8697164, WBIIPXYJAMICNU-AWEZNQCLSA-N, 160347-92-2, ACT07198, KS-00000VA9, ZINC4534345, AKOS015924225, AKOS015963128, n2-(tert-butoxycarbonyl)-n5-{n-[(4-methylphenyl)sulfonyl]carbamimidoyl}-l-ornithine, AC-19254, AJ-73959, AJ-73960, AK-45987, AB0012784, AX8008504, TL8006139, B3766, FT-0623150, ST24046201, N2-(tert-butoxycarbonyl)-Nw-tosyl-L-arginine, K-4478, M03258, 836B378, N-alpha-t-Butyloxycarbonyl-N-gamma-4-toluolsulfonyl-L-arginine, (S)-2-(tert-butoxycarbonylamino)-5-(3-tosylguanidino)pentanoic acid, Nalpha-(tert-Butoxycarbonyl)-Nomega-(p-toluenesulfonyl)-L-arginine, Ornithine, N(2)-carboxy-N(5)-[(p-tolylsulfonyl)amidino]-, N(2)-tert-butyl ester, L-, (2S)-2-[(tert-butoxycarbonyl)amino]-5-[3-(4-methylbenzenesulfonyl)carbamimidamido]pentanoic acid, (2S)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid, N2-((1,1-Dimethylethoxy)carbonyl)-N5-(imino(((4-methylphenyl)sulphonyl)amino)methyl)-L-ornithine, Boc-D-Arg(Tos)-OH, CID83767, 2-Bromo-4-(trifluoromethyl)pyridine, AR-1K5512, C18-H28-N4-O6-S, NSC164058, N-alpha-Boc-N-omega-tosyl-L-arginine, ACN-032987, Boc-Arg(Tos)-OH, 98% - 25G 25g, N2-tert-Butoxycarbonyl-NG-tosyl-L-arginine, 3425-89-6, 61315-61-5, L-Ornithine, N(2)-((1,1-dimethylethoxy)carbonyl)-N(5)-(imino(((4-methylphenyl)sulfonyl)amino)methyl)-, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino[[(4-methylphenyl)sulphonyl]amino]methyl]-L-ornithine,

Complexity	688
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	428.173g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	428.504g/mol
Monoisotopic Mass	428.173g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	169A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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