N-(Ethoxycarbonyl)-a-methyl-L-tryptophan Methyl Ester - CAS 1798895-24-5
Catalog: |
BB066019 |
Product Name: |
N-(Ethoxycarbonyl)-a-methyl-L-tryptophan Methyl Ester |
CAS: |
1798895-24-5 |
Synonyms: |
N-(Ethoxycarbonyl)-α-methyl-L-tryptophan Methyl Ester |
IUPAC Name: | methyl (2S)-2-(ethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoate |
Description: | N-(Ethoxycarbonyl)-a-methyl-L-tryptophan Methyl Ester is an intermediate in the preparation of a-Methyl-L-tryptophan (M331980). |
Molecular Weight: | 304.34 |
Molecular Formula: | C16H20N2O4 |
Canonical SMILES: | CCOC(=O)NC(C)(CC1=CNC2=CC=CC=C21)C(=O)OC |
InChI: | InChI=1S/C16H20N2O4/c1-4-22-15(20)18-16(2,14(19)21-3)9-11-10-17-13-8-6-5-7-12(11)13/h5-8,10,17H,4,9H2,1-3H3,(H,18,20)/t16-/m0/s1 |
InChI Key: | XFVTYJZJZLTYAQ-INIZCTEOSA-N |
Solubility: | Methanol |
Appearance: | White Solid |
Complexity: | 415 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.14230712 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.14230712 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 80.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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