Elamipretide
(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]hexanamide
Molecular Identity
Elamipretide
(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]hexanamide
PubChem CID: 11764719
Elamipretide is an oligopeptide.
2D Structure
Properties
C32H49N9O5
Molecular Formula
639.80
Molecular Weight
g/mol
639.3857
Exact Mass
Da
0
XLogP
Drug-like (Lipinski: < 5)
267
TPSA
May have limited oral absorption
9
H-Bond Donors
8
H-Bond Acceptors
990
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=CC(=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)C(CCCN=C(N)N)N)C)OIsomeric SMILES
SMILES: CC1=CC(=CC(=C1C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)N)C)OSynonyms(20)
Elamipretide736992-21-5bendaviaOcuviaMTP-131MTP 131SS-31Szeto-schiller peptideElamipretidaMTP131Nh2-d-arg-dmt-lys-phe-nh2RX 31SS 3187GWG91S09RX-31
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Elamipretide
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