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116393-52-3 | L-Tryptophan, N-[[4-(3-bromo-1-methylpropyl)phenyl]sulfonyl]-
CAS No: 116393-52-3 Catalog No: AG000CDG MDL No:
Product Description
Catalog Number:
AG000CDG
Chemical Name:
L-Tryptophan, N-[[4-(3-bromo-1-methylpropyl)phenyl]sulfonyl]-
CAS Number:
116393-52-3
Molecular Formula:
C21H23BrN2O4S
Molecular Weight:
479.3873
IUPAC Name:
2-[[4-(4-bromobutan-2-yl)phenyl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C21H23BrN2O4S/c1-14(10-11-22)15-6-8-17(9-7-15)29(27,28)24-20(21(25)26)12-16-13-23-19-5-3-2-4-18(16)19/h2-9,13-14,20,23-24H,10-12H2,1H3,(H,25,26)
InChI Key:
DSPHCRWAAVHGJD-UHFFFAOYSA-N
SMILES:
BrCCC(c1ccc(cc1)S(=O)(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)C
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.056g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
479.389g/mol
Monoisotopic Mass:
478.056g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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