Ciraparantag
(2S)-2-amino-N-[3-[4-[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propyl]piperazin-1-yl]propyl]-5-(diaminomethylideneamino)pentanamide
Molecular Identity
Ciraparantag
(2S)-2-amino-N-[3-[4-[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propyl]piperazin-1-yl]propyl]-5-(diaminomethylideneamino)pentanamide
PubChem CID: 71576543
Ciraparantag is a N-alkylpiperazine.
2D Structure
Properties
C22H48N12O2
Molecular Formula
512.70
Molecular Weight
g/mol
512.4023
Exact Mass
Da
-4
XLogP
Drug-like (Lipinski: < 5)
246
TPSA
May have limited oral absorption
8
H-Bond Donors
8
H-Bond Acceptors
629
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CCN1CCCNC(=O)C(CCCN=C(N)N)N)CCCNC(=O)C(CCCN=C(N)N)NIsomeric SMILES
SMILES: C1CN(CCN1CCCNC(=O)[C@H](CCCN=C(N)N)N)CCCNC(=O)[C@H](CCCN=C(N)N)NSynonyms(20)
Ciraparantag1438492-26-2PER-977PER977U2R67KV65QDTXSID701045783N1,N1'-(Piperazine-1,4-diylbis(propane-1,3-diyl))bis-L-argininamidePentanamide, N,N'-(1,4-piperazinediyldi-3,1-propanediyl)bis(2-amino-5-((aminoiminomethyl)amino)-, (2S,2'S)-Pentanamide, N,N'-(1,4-piperazinediyldi-3,1-propanediyl)bis[2-amino-5-[(aminoiminomethyl)amino]-, (2S,2'S)-(2S)-2-amino-N-[3-(4-{3-[(2S)-2-amino-5-carbamimidamidopentanamido]propyl}piperazin-1-yl)propyl]-5-carbamimidamidopentanamideciraparantagum(2S)-2-amino-N-(3-(4-(3-((2S)-2-amino-5-carbamimidamidopentanamido)propyl)piperazin-1-yl)propyl)-5-carbamimidamidopentanamideRefChem:126332DTXCID701527713Ciraparantag [USAN]
Data from PubChem (NCBI)
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