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101289-65-0 | Indole-3-butyryl-l-alanine
CAS No: 101289-65-0 Catalog No: AG01EH70 MDL No:
Product Description
Catalog Number:
AG01EH70
Chemical Name:
Indole-3-butyryl-l-alanine
CAS Number:
101289-65-0
IUPAC Name:
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]butanedioic acid
InChI:
InChI=1S/C16H18N2O5/c19-14(18-13(16(22)23)8-15(20)21)7-3-4-10-9-17-12-6-2-1-5-11(10)12/h1-2,5-6,9,13,17H,3-4,7-8H2,(H,18,19)(H,20,21)(H,22,23)/t13-/m0/s1
InChI Key:
VZPZSWBXKJFYJG-ZDUSSCGKSA-N
UNII:
YL6E9848ZV
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
318.122g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
318.329g/mol
Monoisotopic Mass:
318.122g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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