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107619-05-6 | INDOLE-3-ACETYL-L-ASPARTIC ACID DIMETHYL ESTER
CAS No: 107619-05-6 Catalog No: AG007W4V MDL No:
Product Description
Catalog Number:
AG007W4V
Chemical Name:
INDOLE-3-ACETYL-L-ASPARTIC ACID DIMETHYL ESTER
CAS Number:
107619-05-6
Molecular Formula:
C16H20N2O5
Molecular Weight:
320.3404
IUPAC Name:
dimethyl (3S)-2-acetyl-3-aminobutanedioate;1H-indole
InChI:
InChI=1S/C8H13NO5.C8H7N/c1-4(10)5(7(11)13-2)6(9)8(12)14-3;1-2-4-8-7(3-1)5-6-9-8/h5-6H,9H2,1-3H3;1-6,9H/t5?,6-;/m0./s1
InChI Key:
SGVVZZSCFPMVDF-PQAGPIFVSA-N
SMILES:
c1ccc2c(c1)cc[nH]2.COC(=O)C([C@@H](C(=O)OC)N)C(=O)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
320.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.345g/mol
Monoisotopic Mass:
320.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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