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160825-49-0 | L-Lysine, N6-[N-[(3-carboxyoxiranyl)carbonyl]-L-leucyl]- (9CI)
CAS No: 160825-49-0 Catalog No: AG001VDX MDL No:
Product Description
Catalog Number:
AG001VDX
Chemical Name:
L-Lysine, N6-[N-[(3-carboxyoxiranyl)carbonyl]-L-leucyl]- (9CI)
CAS Number:
160825-49-0
Molecular Formula:
C16H27N3O7
Molecular Weight:
373.4015
IUPAC Name:
3-[[(2S)-1-[[(5S)-5-amino-5-carboxypentyl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
InChI:
InChI=1S/C16H27N3O7/c1-8(2)7-10(19-14(21)11-12(26-11)16(24)25)13(20)18-6-4-3-5-9(17)15(22)23/h8-12H,3-7,17H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)/t9-,10-,11?,12?/m0/s1
InChI Key:
ZVGQDSFLALZVNS-JYBOHDQNSA-N
SMILES:
CC(C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)C1OC1C(=O)O)C
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
373.185g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
373.406g/mol
Monoisotopic Mass:
373.185g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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