CRT
(6S,9S,12S,15R,20R,23S,26S,29S)-15-amino-6-[(2S)-butan-2-yl]-12-[3-(diaminomethylideneamino)propyl]-9-[(1R)-1-hydroxyethyl]-26-(hydroxymethyl)-2,5,8,11,14,22,25,28-octaoxo-23-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24,27-octazabicyclo[27.3.0]dotriacontane-20-carboxylic acid
Molecular Identity
CRT
(6S,9S,12S,15R,20R,23S,26S,29S)-15-amino-6-[(2S)-butan-2-yl]-12-[3-(diaminomethylideneamino)propyl]-9-[(1R)-1-hydroxyethyl]-26-(hydroxymethyl)-2,5,8,11,14,22,25,28-octaoxo-23-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24,27-octazabicyclo[27.3.0]dotriacontane-20-carboxylic acid
PubChem CID: 169450595
2D Structure
Properties
C37H64N12O12S2
Molecular Formula
933.10
Molecular Weight
g/mol
932.4208
Exact Mass
Da
-4.9
XLogP
Drug-like (Lipinski: < 5)
443
TPSA
May have limited oral absorption
13
H-Bond Donors
16
H-Bond Acceptors
1670
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(5)
CRTNVZFEKOKXWXBNJ-KPFCNXGFSA-NHY-P5533CS-08859972414254-70-7
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to CRT
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