| CAS Number | 919529-74-1 |
| Catalog Number | AG00IGYS(AGN-PC-0VXIFS) |
| Chemical Name | Dicyclohexylamine (R)-2-((tert-butoxycarbonyl)amino)-5-phenylpentanoate |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid |
| InChI | InChI=1S/C16H23NO4.C12H23N/c1-16(2,3)21-15(20)17-13(14(18)19)11-7-10-12-8-5-4-6-9-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,17,20)(H,18,19);11-13H,1-10H2/t13-;/m1./s1 |
| InChI Key | WTRAZOVTEAIRDM-BTQNPOSSSA-N |
| MDL Number | MFCD04117837 |
| Molecular Formula | C28H46N2O4 |
| Molecular Weight | 474.6758 |
| SMILES | CC(C)(OC(N[C@@H](C(O)=O)CCCC1=CC=CC=C1)=O)C.C1(NC2CCCCC2)CCCCC1 |
| Synonyms | 919529-74-1,
Boc-D-2-amino-5-phenyl-pentanoic acid-DCHA,
C16H23NO4.C12H23N,
Boc-D-Nva(5-phenyl)-OHCHA,
6299AH,
MFCD04117837,
CB-2920,
AK187837,
PS-12525,
Boc-D-2-Amino-5-phenyl-pentanoic acid DCHA,
A-7767,
Boc-D-2-amino-5-phenylpentanoic acid dicyclohexylamine salt,
Benzenepentanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aR)-, compd. with N-cyclohexylcyclohexanamine (1:1),
BOC-D-2-AMINO-5-PHENYL-PENTANOIC ACID DCHA SALT,
Dicyclohexylamine (R)-2-((tert-butoxycarbonyl)amino)-5-phenylpentanoate,
156130-68-6,
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| Complexity | 459 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 474.346g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 474.686g/mol |
| Monoisotopic Mass | 474.346g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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