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1971007-97-2 | N-[(1-pentyl-1H-indol-3-yl)carbonyl]-L-valine,methylester
CAS No: 1971007-97-2 Catalog No: AG01EP7R MDL No:
Product Description
Catalog Number:
AG01EP7R
Chemical Name:
N-[(1-pentyl-1H-indol-3-yl)carbonyl]-L-valine,methylester
CAS Number:
1971007-97-2
Molecular Formula:
C20H28N2O3
Molecular Weight:
344.4479
IUPAC Name:
methyl (2S)-3-methyl-2-[(1-pentylindole-3-carbonyl)amino]butanoate
InChI:
InChI=1S/C20H28N2O3/c1-5-6-9-12-22-13-16(15-10-7-8-11-17(15)22)19(23)21-18(14(2)3)20(24)25-4/h7-8,10-11,13-14,18H,5-6,9,12H2,1-4H3,(H,21,23)/t18-/m0/s1
InChI Key:
XOVHYVWQBVNONJ-SFHVURJKSA-N
SMILES:
CCCCCn1cc(c2c1cccc2)C(=O)N[C@H](C(=O)OC)C(C)C
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
344.21g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.455g/mol
Monoisotopic Mass:
344.21g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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