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157976-66-4 | L-Leucine, L-tryptophyl-L-isoleucyl-
CAS No: 157976-66-4 Catalog No: AG001PV7 MDL No:
Product Description
Catalog Number:
AG001PV7
Chemical Name:
L-Leucine, L-tryptophyl-L-isoleucyl-
CAS Number:
157976-66-4
Molecular Formula:
C23H34N4O4
Molecular Weight:
430.5405
IUPAC Name:
(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C23H34N4O4/c1-5-14(4)20(22(29)26-19(23(30)31)10-13(2)3)27-21(28)17(24)11-15-12-25-18-9-7-6-8-16(15)18/h6-9,12-14,17,19-20,25H,5,10-11,24H2,1-4H3,(H,26,29)(H,27,28)(H,30,31)/t14-,17-,19-,20-/m0/s1
InChI Key:
KULBQAVOXHQLIY-HSCHXYMDSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N)C
Properties
Complexity:
627
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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