N-Boc-Fmoc L-Canavanine - CAS 190723-97-8

Catalog:	BB072446
Product Name:	N-Boc-Fmoc L-Canavanine
CAS:	190723-97-8
Synonyms:	(8S)-8-Carboxy-3-imino-5-oxa-2,4,9-triazadecanedioic Acid 1-(1,1-Dimethylethyl) 10-(9H-Fluoren-9-ylmethyl) Ester; Fmoc-L-Cav(Boc)-OH

Technical Data

IUPAC Name:	(2S)-4-[(E)-[amino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]amino]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Description:	N-Boc-Fmoc L-Canavanine is a Canavanine derivative useful in peptide synthesis.
Molecular Weight:	498.53
Molecular Formula:	C25H30N4O7
Canonical SMILES:	CC(C)(C)OC(=O)NC(=NOCCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)N
InChI:	InChI=1S/C25H30N4O7/c1-25(2,3)36-24(33)28-22(26)29-35-13-12-20(21(30)31)27-23(32)34-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,27,32)(H,30,31)(H3,26,28,29,33)/t20-/m0/s1
InChI Key:	LVXQFUWRYAPEFA-FQEVSTJZSA-N
References:	Pajpanova, T., et al. Amino Acids, 12, 191 (1997),.

Complexity:	791
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	1
Exact Mass:	498.21144931
Formal Charge:	0
Heavy Atom Count:	36
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	498.21144931
Rotatable Bond Count:	12
Topological Polar Surface Area:	162Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1