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827612-60-2 | D-Tryptophan, 5-methyl-N-[(phenylamino)carbonyl]-
CAS No: 827612-60-2 Catalog No: AG0056ZD MDL No:
Product Description
Catalog Number:
AG0056ZD
Chemical Name:
D-Tryptophan, 5-methyl-N-[(phenylamino)carbonyl]-
CAS Number:
827612-60-2
Molecular Formula:
C19H19N3O3
Molecular Weight:
337.3725
IUPAC Name:
(2R)-3-(5-methyl-1H-indol-3-yl)-2-(phenylcarbamoylamino)propanoic acid
InChI:
InChI=1S/C19H19N3O3/c1-12-7-8-16-15(9-12)13(11-20-16)10-17(18(23)24)22-19(25)21-14-5-3-2-4-6-14/h2-9,11,17,20H,10H2,1H3,(H,23,24)(H2,21,22,25)/t17-/m1/s1
InChI Key:
RDVSDDSQBQVDLF-QGZVFWFLSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1c[nH]c2c1cc(C)cc2)Nc1ccccc1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
337.143g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
337.379g/mol
Monoisotopic Mass:
337.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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