AG002JBT

207857-35-0 | 11-Oxa-2,7,9-triazadodec-7-enoic acid, 3-carboxy-10-oxo-12-phenyl-8-[[(phenylmethoxy)carbonyl]amino]-, 1-(9H-fluoren-9-ylmethyl) ester, (3S)-

AG002JBT

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CAS Number	207857-35-0
Catalog Number	AG002JBT(AGN-PC-0QWMAW)
Chemical Name	11-Oxa-2,7,9-triazadodec-7-enoic acid, 3-carboxy-10-oxo-12-phenyl-8-[[(phenylmethoxy)carbonyl]amino]-, 1-(9H-fluoren-9-ylmethyl) ester, (3S)-
IUPAC Name	(2S)-5-[bis(phenylmethoxycarbonylamino)methylideneamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
InChI	InChI=1S/C37H36N4O8/c42-33(43)32(39-35(44)49-24-31-29-18-9-7-16-27(29)28-17-8-10-19-30(28)31)20-11-21-38-34(40-36(45)47-22-25-12-3-1-4-13-25)41-37(46)48-23-26-14-5-2-6-15-26/h1-10,12-19,31-32H,11,20-24H2,(H,39,44)(H,42,43)(H2,38,40,41,45,46)/t32-/m0/s1
InChI Key	SLWMVWWEOHTNTR-YTTGMZPUSA-N
MDL Number	MFCD05663439
Molecular Formula	C37H36N4O8
Molecular Weight	664.7037
SMILES	O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CCCN=C(NC(OCC4=CC=CC=C4)=O)NC(OCC5=CC=CC=C5)=O
Synonyms	Fmoc-Arg(Z)2-OH, 207857-35-0, (9-Fluorenylmethoxycarbonyl)-Ngamma-bis-carbobenzoxy-L-arginine, CTK8F0019, DTXSID30441629, C37H36N4O8, 6785AH, MFCD05663439, AKOS027250997, AKOS030212617, ZINC150339300, Na-Fmoc-Nw-bis-carbobenzoxy-L-arginine, RT-005614, FT-0774104, A-7738, 857F350, N-alpha-(9-Fluorenylmethyloxycarbonyl)-N',N''-bis-benzyloxycarbonyl-L-arginine, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-((3,7-dioxo-1,9-diphenyl-2,8-dioxa-4,6-diazanonan-5-ylidene)amino)pentanoic acid, 11-Oxa-2,7,9-triazadodec-7-enoic acid, 3-carboxy-10-oxo-12-phenyl-8-[[(phenylmethoxy)carbonyl]amino]-, 1-(9H-fluoren-9-ylmethyl) ester, (3S)-, 11-Oxa-2,7,9-triazadodec-7-enoicacid, 3-carboxy-10-oxo-12-phenyl-8-[[(phenylmethoxy)carbonyl]amino]-,1-(9H-fluoren-9-ylmethyl) ester, (3S)-, N~5~-(3,7-Dioxo-1,9-diphenyl-2,8-dioxa-4,6-diazanonan-5-ylidene)-N~2~-{[(9H-fluoren-9-yl)methoxy]carbonyl}-L-ornithine, N-Fmoc-N,N'-bis-Cbz-L-arginine, CID10556342, CID 10556342,

Complexity	1060
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	664.253g/mol
Formal Charge	0
Heavy Atom Count	49
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	664.715g/mol
Monoisotopic Mass	664.253g/mol
Rotatable Bond Count	17
Topological Polar Surface Area	165A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

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