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143738-38-9 | L-Tryptophan, 2-ethyl-2-aminobutanoyl-2-ethyl-2-aminobutanoyl- (9CI)
CAS No: 143738-38-9 Catalog No: AG001IAI MDL No:
Product Description
Catalog Number:
AG001IAI
Chemical Name:
L-Tryptophan, 2-ethyl-2-aminobutanoyl-2-ethyl-2-aminobutanoyl- (9CI)
CAS Number:
143738-38-9
Molecular Formula:
C23H34N4O4
Molecular Weight:
430.5405
IUPAC Name:
2-[bis(2-aminobutanoyl)amino]-3-(2,2-diethylindol-3-yl)propanoic acid
InChI:
InChI=1S/C23H34N4O4/c1-5-16(24)20(28)27(21(29)17(25)6-2)19(22(30)31)13-15-14-11-9-10-12-18(14)26-23(15,7-3)8-4/h9-12,16-17,19H,5-8,13,24-25H2,1-4H3,(H,30,31)
InChI Key:
HOCROFDWCMOOEO-UHFFFAOYSA-N
SMILES:
CCC(C(=O)N(C(=O)C(CC)N)[C@H](C(=O)O)CC1=c2ccccc2=NC1(CC)CC)N
Properties
Complexity:
830
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.258g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
430.549g/mol
Monoisotopic Mass:
430.258g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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