[S-(R*,R*)]-2-[2-tert-Butyloxycarbonylamino-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid Phenylmethyl Ester - CAS 92829-12-4
Catalog: |
BB071597 |
Product Name: |
[S-(R*,R*)]-2-[2-tert-Butyloxycarbonylamino-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid Phenylmethyl Ester |
CAS: |
92829-12-4 |
Synonyms: |
[S-(R*,R*)]-2-[2-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid Phenylmethyl Ester |
IUPAC Name: | benzyl (3S)-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate |
Description: | [S-(R*,R*)]-2-[2-tert-Butyloxycarbonylamino-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid Phenylmethyl Ester (cas# 92829-12-4) is a compound useful in organic synthesis. |
Molecular Weight: | 438.52 |
Molecular Formula: | C25H30N2O5 |
Canonical SMILES: | CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C25H30N2O5/c1-17(26-24(30)32-25(2,3)4)22(28)27-15-20-13-9-8-12-19(20)14-21(27)23(29)31-16-18-10-6-5-7-11-18/h5-13,17,21H,14-16H2,1-4H3,(H,26,30)/t17-,21-/m0/s1 |
InChI Key: | SPTDDNAKFOMLRS-UWJYYQICSA-N |
Solubility: | Dichloromethane, Ethyl Acetate, Methanol |
Appearance: | White Solid |
Complexity: | 668 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 438.21547206 |
Formal Charge: | 0 |
Heavy Atom Count: | 32 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 438.21547206 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 84.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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