AG002CJX

200122-49-2 | D-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methyl]-

AG002CJX

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CAS Number	200122-49-2
Catalog Number	AG002CJX(AGN-PC-0QR4C4)
Chemical Name	D-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methyl]-
IUPAC Name	(2R)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI	InChI=1S/C21H34N4O7S/c1-12-11-16(31-7)13(2)14(3)17(12)33(29,30)25-19(22)23-10-8-9-15(18(26)27)24-20(28)32-21(4,5)6/h11,15H,8-10H2,1-7H3,(H,24,28)(H,26,27)(H3,22,23,25)/t15-/m1/s1
InChI Key	CXZHJRGYWGPJSD-OAHLLOKOSA-N
MDL Number	MFCD00151863
Molecular Formula	C21H34N4O7S
Molecular Weight	486.5823
SMILES	O=C(O)[C@H](NC(OC(C)(C)C)=O)CCCNC(NS(=O)(C1=C(C)C=C(OC)C(C)=C1C)=O)=N
Synonyms	200122-49-2, Boc-D-Arg(Mtr)-OH, (R)-2-((tert-Butoxycarbonyl)amino)-5-(3-((4-methoxy-2,3,6-trimethylphenyl)sulfonyl)guanidino)pentanoic acid, C21H34N4O7S, Boc-D-Arg(Mtr)-OH?, SCHEMBL19933199, KS-00000KFD, DTXSID20651179, ZINC4534149, MFCD00151863, DS-2754, AJ-73963, AK111161, AB0032487, AX8032516, X5795, M-9764, Nalpha-Boc-Nomega-(4-methoxy-2,3,6-trimethylphenylsulfonyl)-D-arginine, (2R)-2-{[(tert-butoxy)carbonyl]amino}-5-[N'-(4-methoxy-2,3,6-trimethylbenzenesulfonyl)carbamimidamido]pentanoic acid, (E)-N~5~-{Amino[(4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl)amino]methylidene}-N~2~-(tert-butoxycarbonyl)-D-ornithine, D-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methyl]-,

Complexity	804
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	486.215g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	486.584g/mol
Monoisotopic Mass	486.215g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	178A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

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