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189455-44-5 | L-Threonine, L-tryptophyl-L-tryptophyl-
CAS No: 189455-44-5 Catalog No: AG002DOM MDL No:
Product Description
Catalog Number:
AG002DOM
Chemical Name:
L-Threonine, L-tryptophyl-L-tryptophyl-
CAS Number:
189455-44-5
Molecular Formula:
C26H29N5O5
Molecular Weight:
491.5390
IUPAC Name:
(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoic acid
InChI:
InChI=1S/C26H29N5O5/c1-14(32)23(26(35)36)31-25(34)22(11-16-13-29-21-9-5-3-7-18(16)21)30-24(33)19(27)10-15-12-28-20-8-4-2-6-17(15)20/h2-9,12-14,19,22-23,28-29,32H,10-11,27H2,1H3,(H,30,33)(H,31,34)(H,35,36)/t14-,19+,22+,23+/m1/s1
InChI Key:
GQYPNFIFJRNDPY-ONUFPDRFSA-N
SMILES:
O=C([C@H](Cc1c[nH]c2c1cccc2)N)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)Cc1c[nH]c2c1cccc2
Properties
Complexity:
797
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
491.217g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
491.548g/mol
Monoisotopic Mass:
491.217g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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