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249935-06-6 | L-Leucine, N-(1-oxopropyl)-L-isoleucyl-L-isoleucylglycyl- (9CI)
CAS No: 249935-06-6 Catalog No: AG002Q4A MDL No:
Product Description
Catalog Number:
AG002Q4A
Chemical Name:
L-Leucine, N-(1-oxopropyl)-L-isoleucyl-L-isoleucylglycyl- (9CI)
CAS Number:
249935-06-6
Molecular Formula:
C23H42N4O6
Molecular Weight:
470.6028
IUPAC Name:
(2S)-4-methyl-2-[[2-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-(propanoylamino)pentanoyl]amino]pentanoyl]amino]acetyl]amino]pentanoic acid
InChI:
InChI=1S/C23H42N4O6/c1-8-14(6)19(27-22(31)20(15(7)9-2)26-17(28)10-3)21(30)24-12-18(29)25-16(23(32)33)11-13(4)5/h13-16,19-20H,8-12H2,1-7H3,(H,24,30)(H,25,29)(H,26,28)(H,27,31)(H,32,33)/t14-,15-,16-,19-,20-/m0/s1
InChI Key:
ULZPXXVVXWGAKY-UKSSEWCLSA-N
SMILES:
CCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CC(C)C)[C@H](CC)C)[C@H](CC)C
Properties
Complexity:
682
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
470.31g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
470.611g/mol
Monoisotopic Mass:
470.31g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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