Boc-4,5-dehydro-d-leu-oh dcha - CAS 1217776-08-3
Catalog: |
BB073897 |
Product Name: |
Boc-4,5-dehydro-d-leu-oh dcha |
CAS: |
1217776-08-3 |
Synonyms: |
(2R)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-methyl-4-pentenoic Acid N-Cyclohexylcyclohexanamine (1:1) |
IUPAC Name: | N-cyclohexylcyclohexanamine(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid |
Description: | Boc-4,5-dehydro-d-leu-oh dcha |
Molecular Weight: | 229.27 + 181.32 |
Molecular Formula: | C11H19NO4·C12H23N |
Canonical SMILES: | CC(=C)CC(C(=O)O)NC(=O)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2 |
InChI: | InChI=1S/C12H23N.C11H19NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-121-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h11-13H,1-10H28H,1,6H2,2-5H3,(H,12,15)(H,13,14)/t8-/m.1/s1 |
InChI Key: | ZRIOKRZSXPPREV-NIFFTEIASA-N |
Complexity: | 407 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 410.31445783 |
Formal Charge: | 0 |
Heavy Atom Count: | 29 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 410.31445783 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 87.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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