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114577-12-7 | L-Lysine, L-lysyl-L-phenylalanylglycyl- (9CI)
CAS No: 114577-12-7 Catalog No: AG000EQC MDL No:
Product Description
Catalog Number:
AG000EQC
Chemical Name:
L-Lysine, L-lysyl-L-phenylalanylglycyl- (9CI)
CAS Number:
114577-12-7
Molecular Formula:
C23H38N6O5
Molecular Weight:
478.5850
IUPAC Name:
(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoic acid
InChI:
InChI=1S/C23H38N6O5/c24-12-6-4-10-17(26)21(31)29-19(14-16-8-2-1-3-9-16)22(32)27-15-20(30)28-18(23(33)34)11-5-7-13-25/h1-3,8-9,17-19H,4-7,10-15,24-26H2,(H,27,32)(H,28,30)(H,29,31)(H,33,34)/t17-,18-,19-/m0/s1
InChI Key:
VSVQDVPQNPGKQE-FHWLQOOXSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCCCN)Cc1ccccc1)N
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
478.29g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
478.594g/mol
Monoisotopic Mass:
478.29g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
203A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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