Ctt-1057
(2S)-2-[[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[6-[(4-fluorobenzoyl)amino]hexanoylamino]butanoyl]amino]butoxy]-hydroxyphosphoryl]amino]pentanedioic acid
Molecular Identity
Ctt-1057
(2S)-2-[[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[6-[(4-fluorobenzoyl)amino]hexanoylamino]butanoyl]amino]butoxy]-hydroxyphosphoryl]amino]pentanedioic acid
PubChem CID: 73386645
2D Structure
Properties
C28H40FN4O14P
Molecular Formula
706.60
Molecular Weight
g/mol
706.2263
Exact Mass
Da
-0.8
XLogP
Drug-like (Lipinski: < 5)
295
TPSA
May have limited oral absorption
9
H-Bond Donors
16
H-Bond Acceptors
1170
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1C(=O)NCCCCCC(=O)NC(CCC(=O)NC(CCCOP(=O)(NC(CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)FIsomeric SMILES
SMILES: C1=CC(=CC=C1C(=O)NCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)FSynonyms(15)
CTT-1057QMH3V8VSPBCTT1057UNII-QMH3V8VSPB1628717-55-46-Oxa-4,11,16,23-tetraaza-5-phosphatetracosane-1,3,10,15-tetracarboxylic acid, 24-(4-fluorophenyl)-5-hydroxy-12,17,24-trioxo-, 5-oxide, (3S,10S,15S)-RefChem:128691CHEMBL3427435N-{6-[(4-Fluorobenzoyl)amino]hexanoyl}-L-Gamma-Glutamyl-5-{[(S)-{[(1s)-1,3-Dicarboxypropyl]amino}(Hydroxy)phosphoryl]oxy}-L-NorvalineVidoflufolastatSCHEMBL16083688BDBM50088185DB14965Q27287336T57
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ctt-1057
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