Anrikefon
(2R)-N-[(2R)-1-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-amino-1-oxohexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
Molecular Identity
Anrikefon
(2R)-N-[(2R)-1-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-amino-1-oxohexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
PubChem CID: 137433038
2D Structure
Properties
C39H57N7O5
Molecular Formula
703.90
Molecular Weight
g/mol
703.4421
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
180
TPSA
May have limited oral absorption
5
H-Bond Donors
7
H-Bond Acceptors
1150
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)CC(C(=O)NC(CCCCN)C(=O)N1CCC2(CC1)CN(C2)C(=O)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)NIsomeric SMILES
SMILES: CC(C)C[C@H](C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CC1)CN(C2)C(=O)C)NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CC=CC=C4)NSynonyms(20)
Anrikefon2269511-95-5Anrikefon [INN]22SCY98BXVUNII-22SCY98BXVHSK21542(R)-N-[(R)-1-(2-ACETYL-2,7-DIAZASPIRO[3.5]NONAN-7-YL)-6-AMINO-1-OXO-2-HEXYL]-2-[(R)-2-[(R)-2-AMINO-3-PHENYLPROPANAMIDO]-3-PHENYLPROPANAMIDO]-4-METHYLPENTANAMIDE(2R)-N-[(2R)-1-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-amino-1-oxohexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide1-(7-(D-Phenylalanyl-D-phenylalanyl-D-leucyl-D-lysyl)-2,7-diazaspiro(3.5)non-2-yl)ethanone1-(7-(D-Phenylalanyl-D-phenylalanyl-D-leucyl-D-lysyl)- 2,7-diazaspiro(3.5)nonan-2-yl)ethan-1-oneEthanone, 1-(7-(D-phenylalanyl-D-phenylalanyl-D-leucyl-D-lysyl)-2,7-diazaspiro(3.5)non-2-yl)-1-[7-(D-phenylalanyl-D-phenylalanyl-D-leucyl-D-lysyl)- 2,7-diazaspiro[3.5]nonan-2-yl]ethan-1-one1-[7-(D-Phenylalanyl-D-phenylalanyl-D-leucyl-D-lysyl)-2,7-diazaspiro[3.5]non-2-yl]ethanoneEthanone, 1-[7-(D-phenylalanyl-D-phenylalanyl-D-leucyl-D-lysyl)-2,7-diazaspiro[3.5]non-2-yl]-Anrikefon [WHO-DD]
Data from PubChem (NCBI)
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