Tcmcb07
(3S,11S,14S,17S,20R,23S)-3-[[(2S)-2-acetamidohexanoyl]amino]-N-[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
Molecular Identity
Tcmcb07
(3S,11S,14S,17S,20R,23S)-3-[[(2S)-2-acetamidohexanoyl]amino]-N-[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
PubChem CID: 169450720
2D Structure
Properties
C63H87N15O11
Molecular Formula
1230.50
Molecular Weight
g/mol
1229.6709
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
397
TPSA
May have limited oral absorption
12
H-Bond Donors
12
H-Bond Acceptors
2530
Complexity
SMILES
Canonical SMILES
SMILES: CCCCC(C(=O)NC1CC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2CCCN2C1=O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CC5=CNC6=CC=CC=C65)C(=O)NC(C(C)C)C(=O)N7CCCC7C(=O)N)NC(=O)CIsomeric SMILES
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)NC(C(C)C)C(=O)N7CCC[C@@H]7C(=O)N)NC(=O)CSynonyms(6)
MifomelatideTCMCB071456699-27-6MBDALAXLRYJVAO-YIHQDKBISA-NHY-P5971CS-0900828
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Tcmcb07
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