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87579-11-1 | L-Tryptophan, N-[3-(3-chlorophenyl)-1-oxopropyl]-
CAS No: 87579-11-1 Catalog No: AG004IYK MDL No:
Product Description
Catalog Number:
AG004IYK
Chemical Name:
L-Tryptophan, N-[3-(3-chlorophenyl)-1-oxopropyl]-
CAS Number:
87579-11-1
Molecular Formula:
C20H19ClN2O3
Molecular Weight:
370.8295
IUPAC Name:
(2S)-2-[3-(3-chlorophenyl)propanoylamino]-3-(1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C20H19ClN2O3/c21-15-5-3-4-13(10-15)8-9-19(24)23-18(20(25)26)11-14-12-22-17-7-2-1-6-16(14)17/h1-7,10,12,18,22H,8-9,11H2,(H,23,24)(H,25,26)/t18-/m0/s1
InChI Key:
VAWNZMLJCIUQQV-SFHVURJKSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)CCc1cccc(c1)Cl
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
370.108g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
370.833g/mol
Monoisotopic Mass:
370.108g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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