AG001DPE

14611-34-8 | 2-Oxa-4,6,11-triazadodecan-12-oic acid, 10-carboxy-5-imino-3-oxo-1-phenyl-6-[(phenylmethoxy)carbonyl]-, 12-(phenylmethyl) ester, (10S)-

AG001DPE

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CAS Number	14611-34-8
Catalog Number	AG001DPE(AGN-PC-0PY72G)
Chemical Name	2-Oxa-4,6,11-triazadodecan-12-oic acid, 10-carboxy-5-imino-3-oxo-1-phenyl-6-[(phenylmethoxy)carbonyl]-, 12-(phenylmethyl) ester, (10S)-
EC Number	238-647-8
IUPAC Name	(2S)-2-(phenylmethoxycarbonylamino)-5-[phenylmethoxycarbonyl-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]amino]pentanoic acid
InChI	InChI=1S/C30H32N4O8/c31-27(33-29(38)41-20-23-13-6-2-7-14-23)34(30(39)42-21-24-15-8-3-9-16-24)18-10-17-25(26(35)36)32-28(37)40-19-22-11-4-1-5-12-22/h1-9,11-16,25H,10,17-21H2,(H,32,37)(H,35,36)(H2,31,33,38)/t25-/m0/s1
InChI Key	YSGAXJCIEJGVFV-VWLOTQADSA-N
MDL Number	MFCD00038693
Molecular Formula	C30H32N4O8
Molecular Weight	576.5971
SMILES	O=C(OCC1=CC=CC=C1)N[C@H](C(O)=O)CCCN(C(OCC2=CC=CC=C2)=O)C(NC(OCC3=CC=CC=C3)=O)=N
Synonyms	Z-Arg(Z)2-OH, 14611-34-8, Z-Arg(Z)-OH, Tris(carbobenzoxy)-L-arginine, W-108129, (S)-2-(((Benzyloxy)carbonyl)amino)-5-(1,3-bis((benzyloxy)carbonyl)guanidino)pentanoic acid, Cbz-Arg(Cbz)2-OH, PubChem18960, (S)-2-(Cbz-amino)-5-[1,3-bis(Cbz)guanidino]pentanoic Acid, AKOS016002217, CS-W008487, AK-41590, ST51014939, 11Z348, K-4668, M03029, C-23266, N^a,N^d,N^w-Tris(benzyloxycarbonyl)-L-arginine, 95%, (2S)-5-(N-{imino[(phenylmethoxy)carbonylamino]methyl}(phenylmethoxy)carbonylam ino)-2-[(phenylmethoxy)carbonylamino]pentanoic acid, Z-L-Asparagine, Tri-Cbz-L-arginine, Z-Asn-OH, Tris(benzyloxycarbonyl)arginine, C30H32N4O8, tris-(Carbobenzoxy)-L-arginine, Z-Arg(Z)2-OH - 5G 5g, EINECS 238-647-8, NSC120011, C30-H32-N4-O8, NSC 120011, CID10929901, A7998, T0755, 2304-96-3, N5-[imino[[(phenylmethoxy)carbonyl]amino]methyl]-N2,N5-bis[(phenylmethoxy)carbonyl]-L-ornithine,

Complexity	896
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Exact Mass	576.222g/mol
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	576.606g/mol
Monoisotopic Mass	576.222g/mol
Rotatable Bond Count	16
Topological Polar Surface Area	170A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

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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