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918440-78-5 | Tryptophan, 5-hydroxy-N-[(3-quinolinylmethoxy)carbonyl]-
CAS No: 918440-78-5 Catalog No: AG006RDK MDL No:
Product Description
Catalog Number:
AG006RDK
Chemical Name:
Tryptophan, 5-hydroxy-N-[(3-quinolinylmethoxy)carbonyl]-
CAS Number:
918440-78-5
Molecular Formula:
C22H19N3O5
Molecular Weight:
405.4034
IUPAC Name:
(2S)-3-(5-hydroxy-1H-indol-3-yl)-2-(quinolin-3-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C22H19N3O5/c26-16-5-6-19-17(9-16)15(11-24-19)8-20(21(27)28)25-22(29)30-12-13-7-14-3-1-2-4-18(14)23-10-13/h1-7,9-11,20,24,26H,8,12H2,(H,25,29)(H,27,28)/t20-/m0/s1
InChI Key:
CBBYCHZOLAINPJ-FQEVSTJZSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1c[nH]c2c1cc(O)cc2)OCc1cnc2c(c1)cccc2
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
405.132g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
405.41g/mol
Monoisotopic Mass:
405.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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