Leu-Lys-Thr

C16H32N4O5 — CID 145456473

IUPAC(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxybutanoic acid
SMILESC[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)N)O
InChIInChI=1S/C16H32N4O5/c1-9(2)8-11(18)14(22)19-12(6-4-5-7-17)15(23)20-13(10(3)21)16(24)25/h9-13,21H,4-8,17-18H2,1-3H3,(H,19,22)(H,20,23)(H,24,25)/t10-,11+,12+,13+/m1/s1
InChIKeyOVZLLFONXILPDZ-VOAKCMCISA-N
MW360.45 g/mol
LogP-3.70
Rot. Bonds12

About Leu-Lys-Thr

Leu-Lys-Thr (PubChem CID 145456473) has the molecular formula C16H32N4O5 and a molecular weight of 360.45 g/mol. Its IUPAC name is (2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound NameLeu-Lys-Thr
PubChem CID145456473
Molecular FormulaC16H32N4O5
Molecular Weight360.45 g/mol
Exact Mass360.24
IUPAC Name(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxybutanoic acid
SMILESC[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)N)O
InChIInChI=1S/C16H32N4O5/c1-9(2)8-11(18)14(22)19-12(6-4-5-7-17)15(23)20-13(10(3)21)16(24)25/h9-13,21H,4-8,17-18H2,1-3H3,(H,19,22)(H,20,23)(H,24,25)/t10-,11+,12+,13+/m1/s1
InChIKeyOVZLLFONXILPDZ-VOAKCMCISA-N
XLogP-3.70
TPSA168.00 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms25
Complexity444

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 5-3.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Pepstatin
CID 5478883
Acetylpepstatin
CID 5481345
Ser-Leu
CID 7015695
Palmitoyl Pentapeptide-4
CID 9897237
2-[(2-Amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 3621685
MART-1 (27-35) (human)
CID 9897305
Pentapeptide-4
CID 9959565
Ac-Leu-Leu-Norleucinol
CID 446403
Ile-Thr
CID 18218220
Leucylthreonine
CID 18218222
Thr-Leu
CID 7021828
Thr-Val
CID 7020902

Frequently Asked Questions

What is the IUPAC name of Leu-Lys-Thr?
The IUPAC name of Leu-Lys-Thr (CID 145456473) is (2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxybutanoic acid.
What is the SMILES notation for Leu-Lys-Thr?
The canonical SMILES for Leu-Lys-Thr is C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)N)O.
What is the InChIKey of Leu-Lys-Thr?
The InChIKey is OVZLLFONXILPDZ-VOAKCMCISA-N. The full InChI is InChI=1S/C16H32N4O5/c1-9(2)8-11(18)14(22)19-12(6-4-5-7-17)15(23)20-13(10(3)21)16(24)25/h9-13,21H,4-8,17-18H2,1-3H3,(H,19,22)(H,20,23)(H,24,25)/t10-,11+,12+,13+/m1/s1.
What are the key properties of Leu-Lys-Thr?
Leu-Lys-Thr has a molecular weight of 360.45 g/mol, XLogP of -3.70, 12 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Leu-Lys-Thr is sourced from PubChem (CID 145456473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).