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137359-86-5 | L-Tryptophan, L-isoleucyl-L-isoleucyl-
CAS No: 137359-86-5 Catalog No: AG00135Y MDL No:
Product Description
Catalog Number:
AG00135Y
Chemical Name:
L-Tryptophan, L-isoleucyl-L-isoleucyl-
CAS Number:
137359-86-5
Molecular Formula:
C23H34N4O4
Molecular Weight:
430.5405
IUPAC Name:
2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C23H34N4O4/c1-5-13(3)19(24)21(28)27-20(14(4)6-2)22(29)26-18(23(30)31)11-15-12-25-17-10-8-7-9-16(15)17/h7-10,12-14,18-20,25H,5-6,11,24H2,1-4H3,(H,26,29)(H,27,28)(H,30,31)
InChI Key:
GLLAUPMJCGKPFY-UHFFFAOYSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)[C@H]([C@H](CC)C)N)C
Properties
Complexity:
629
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:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
430.549g/mol
Monoisotopic Mass:
430.258g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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