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 |
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: | 162Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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