Tri-N-Boc-L-Norarginine - CAS 869094-29-1
Catalog: |
BB076837 |
Product Name: |
Tri-N-Boc-L-Norarginine |
CAS: |
869094-29-1 |
Synonyms: |
(7S)-7-Carboxy-3-[[(1,1-dimethylethoxy)carbonyl]amino]-11,11-dimethyl-9-oxo-10-oxa-2,4,8-triazadodec-2-enoic Acid 1-(1,1-Dimethylethyl) Ester |
IUPAC Name: | (2S)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid |
Description: | Tri-boc protected intermediate in the preparation of L-Norargenine (N661045) for use in peptide synthesis. |
Molecular Weight: | 460.52 |
Molecular Formula: | C20H36N4O8 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)O |
InChI: | InChI=1S/C20H36N4O8/c1-18(2,3)30-15(27)22-12(13(25)26)10-11-21-14(23-16(28)31-19(4,5)6)24-17(29)32-20(7,8)9/h12H,10-11H2,1-9H3,(H,22,27)(H,25,26)(H2,21,23,24,28,29)/t12-/m0/s1 |
InChI Key: | NLJBQYVLEIKLFN-LBPRGKRZSA-N |
Complexity: | 683 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 460.25331412 |
Formal Charge: | 0 |
Heavy Atom Count: | 32 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 460.25331412 |
Rotatable Bond Count: | 13 |
Topological Polar Surface Area: | 165Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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