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158016-09-2 | L-Leucine, N-[N2-[3-(2-furanyl)-1-oxo-2-propenyl]-L-lysyl]- (9CI)
CAS No: 158016-09-2 Catalog No: AG001PWI MDL No:
Product Description
Catalog Number:
AG001PWI
Chemical Name:
L-Leucine, N-[N2-[3-(2-furanyl)-1-oxo-2-propenyl]-L-lysyl]- (9CI)
CAS Number:
158016-09-2
Molecular Formula:
C19H29N3O5
Molecular Weight:
379.4507
IUPAC Name:
(2S)-2-[[(2S)-6-amino-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]hexanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C19H29N3O5/c1-13(2)12-16(19(25)26)22-18(24)15(7-3-4-10-20)21-17(23)9-8-14-6-5-11-27-14/h5-6,8-9,11,13,15-16H,3-4,7,10,12,20H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)/b9-8+/t15-,16-/m0/s1
InChI Key:
CRXYEFZDLANHTQ-FHQWLQQXSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)C=Cc1ccco1
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
379.211g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
379.457g/mol
Monoisotopic Mass:
379.211g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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