Thr-His-Thr

Name: Thr-His-Thr — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₃N₅O₆ — CID 145458087

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoic acid

SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)O)[C@@H](C)O

InChIInChI=1S/C14H23N5O6/c1-6(20)10(15)13(23)18-9(3-8-4-16-5-17-8)12(22)19-11(7(2)21)14(24)25/h4-7,9-11,20-21H,3,15H2,1-2H3,(H,16,17)(H,18,23)(H,19,22)(H,24,25)/t6-,7-,9+,10+,11+/m1/s1

InChIKeySXAGUVRFGJSFKC-ZEILLAHLSA-N

MW357.37 g/mol

LogP-2.90

Rot. Bonds9

About Thr-His-Thr

Thr-His-Thr (PubChem CID 145458087) has the molecular formula C₁₄H₂₃N₅O₆ and a molecular weight of 357.37 g/mol. Its IUPAC name is (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name	Thr-His-Thr
PubChem CID	145458087
Molecular Formula	C₁₄H₂₃N₅O₆
Molecular Weight	357.37 g/mol
Exact Mass	357.16
IUPAC Name	(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoic acid
SMILES	C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChI	InChI=1S/C14H23N5O6/c1-6(20)10(15)13(23)18-9(3-8-4-16-5-17-8)12(22)19-11(7(2)21)14(24)25/h4-7,9-11,20-21H,3,15H2,1-2H3,(H,16,17)(H,18,23)(H,19,22)(H,24,25)/t6-,7-,9+,10+,11+/m1/s1
InChIKey	SXAGUVRFGJSFKC-ZEILLAHLSA-N
XLogP	-2.90
TPSA	190.66 Å²
H-Bond Donors	7
H-Bond Acceptors	7
Rotatable Bonds	9
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	357.37
LogP ≤ 5	-2.90
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of Thr-His-Thr?

The IUPAC name of Thr-His-Thr (CID 145458087) is (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoic acid.

What is the SMILES notation for Thr-His-Thr?

The canonical SMILES for Thr-His-Thr is C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)O)[C@@H](C)O.

What is the InChIKey of Thr-His-Thr?

The InChIKey is SXAGUVRFGJSFKC-ZEILLAHLSA-N. The full InChI is InChI=1S/C14H23N5O6/c1-6(20)10(15)13(23)18-9(3-8-4-16-5-17-8)12(22)19-11(7(2)21)14(24)25/h4-7,9-11,20-21H,3,15H2,1-2H3,(H,16,17)(H,18,23)(H,19,22)(H,24,25)/t6-,7-,9+,10+,11+/m1/s1.

What are the key properties of Thr-His-Thr?

Thr-His-Thr has a molecular weight of 357.37 g/mol, XLogP of -2.90, 9 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Thr-His-Thr is sourced from PubChem (CID 145458087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 145458087 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.