Name: Name:(S)-methyl 3-(1H-indol-3-yl)-2-((4-methoxybenzyl)amino)propanoate
Brand: Angene
SKU: AG01DUNK
Rating: 90 (10 reviews)

(S)-methyl 3-(1H-indol-3-yl)-2-((4-methoxybenzyl)amino)propanoate

CAS No.:

168766-62-9

Catalog Number:

AG01DUNK

Molecular Formula:

C20H22N2O3

Molecular Weight:

338.4003

Catalog Number:

AG01DUNK

Chemical Name:

(S)-methyl 3-(1H-indol-3-yl)-2-((4-methoxybenzyl)amino)propanoate

CAS Number:

168766-62-9

Molecular Formula:

C20H22N2O3

Molecular Weight:

338.4003

MDL Number:

MFCD31652449

IUPAC Name:

methyl (2S)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate

InChI:

InChI=1S/C20H22N2O3/c1-24-16-9-7-14(8-10-16)12-21-19(20(23)25-2)11-15-13-22-18-6-4-3-5-17(15)18/h3-10,13,19,21-22H,11-12H2,1-2H3/t19-/m0/s1

InChI Key:

PLTOYKCDGVWHOQ-IBGZPJMESA-N

SMILES:

COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NCc1ccc(cc1)OC

Complexity:

423

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

338.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

338.407g/mol

Monoisotopic Mass:

338.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5