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Chemical structure of TCMCB07

GC76605

TCMCB07

Also known as (3S,11S,14S,17S,20R,23S)-3-[[(2S)-2-acetamidohexanoyl]amino]-N-[(2R)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-17-[3-(diaminomethylideneamino)propyl]-14-(1H-indol-3-ylmethyl)-20-(naphthalen-2-ylmethyl)-2,5,13,16,19,22-hexaoxo-1,6,12,15,18,21-hexazabicyclo[21.3.0]hexacosane-11-carboxamide

TCMCB07, a cyclic nonapeptide peptide, is an orally active and brain-penetrant melanocortin receptor 4 (MC4R) antagonist

ChemicalCAS1456699-27-6MW1230.46FormulaC63H87N15O11
CAS number
1456699-27-6
Molecular weight
1230.46
Formula
C63H87N15O11
Solubility
DMSO： 100 mg/mL (81·27 mM; Need ultrasonic)
InChIKey
MBDALAXLRYJVAO-AXWWBJHISA-N
Catalogue number
GC76605
Brand
GLPBIO
Computed properties PubChem CID 171390017 · XLogP 2.6 · TPSA 397 Ų · H-bond donors 12
XLogP
2.6
TPSA
397 Ų
H-bond donors
12
H-bond acceptors
12
Rotatable bonds
19
Heavy atoms
89

SMILES CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C1=O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CC5=CNC6=CC=CC=C65)C(=O)N[C@H](C(C)C)C(=O)N7CCC[C@@H]7C(=O)N)NC(=O)C

Computed descriptors from PubChem (CID 171390017), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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