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Lysyllysyllysine | SBID = 1364 | Compound |
Structure
Molecular Properties
Interactions: |
2
|
PubChem TPSA/Å2: |
200.0 |
Ertl TPSA/Å2: |
|
Hydrophilicity (PubChem XLogP): |
-5.6 |
Hydrophilicity (Cheng XLogP3): |
|
Charge: |
0.0 |
Number of H-Bond Donors: |
7.0 |
Number of H-Bond Acceptors: |
8.0 |
Number of Stereogenic Bonds (E/Z): |
0.0 |
Number of Stereogenic Atoms (R/S): |
3.0 |
3D Volume/Å3: |
|
Sum Formula: |
C18H38N6O4 |
M / g/mol: |
402.5 |
Complexity: |
463.0 |
Number of Conformers: |
0.0 |
Identifiers
-
Tags:
peptide, typical guest
-
Name:
Lysyllysyllysine
-
Preferred Abbreviation:
L-Lys-Lys-Lys
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IUPAC Name:
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoic acid
-
CAS:
13184-14-0
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CID:
72363
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InChiKey:
WBSCNDJQPKSPII-KKUMJFAQSA-N
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InChi:
InChI=1S/C18H38N6O4/c19-10-4-1-7-13(22)16(25)23-14(8-2-5-11-20)17(26)24-15(18(27)28)9-3-6-12-21/h13-15H,1-12,19-22H2,(H,23,25)(H,24,26)(H,27,28)/t13-,14-,15-/m0/s1
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CanoSmiles:
C(CCN)CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)N
-
IsoSmiles:
C(CCN)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)N