Tigapotide
(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-3-(acetamidomethylsulfanyl)-1-[[(2S)-1-[[(2S,3R)-1-[[(2R)-3-(acetamidomethylsulfanyl)-1-[[(2S,3R)-1-[[(2R)-3-(acetamidomethylsulfanyl)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-amino-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-amino-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-amino-5-oxopentanoic acid
Molecular Identity
Tigapotide
(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-3-(acetamidomethylsulfanyl)-1-[[(2S)-1-[[(2S,3R)-1-[[(2R)-3-(acetamidomethylsulfanyl)-1-[[(2S,3R)-1-[[(2R)-3-(acetamidomethylsulfanyl)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-amino-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-amino-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-amino-5-oxopentanoic acid
PubChem CID: 16155604
2D Structure
Properties
C82H119N21O34S3
Molecular Formula
2039.10
Molecular Weight
g/mol
2037.7390
Exact Mass
Da
-12.1
XLogP
Drug-like (Lipinski: < 5)
986
TPSA
May have limited oral absorption
31
H-Bond Donors
38
H-Bond Acceptors
4350
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CSCNC(=O)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CSCNC(=O)C)C(=O)NC(C(C)O)C(=O)NC(CSCNC(=O)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)O)N)OIsomeric SMILES
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CSCNC(=O)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CSCNC(=O)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CSCNC(=O)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)O)N)OSynonyms(20)
TIGAPOTIDE848084-83-3PCK-3145tigapotidaPCK31451WZ6S45S94DTXSID30233869tigapotidumRefChem:189987DTXCID10156360PSP94 (31-45)Prostate-Secretory Protein-94-Derived Peptide PCK3145Tigapotide [INN]UNII-1WZ6S45S94TIGAPOTIDE [WHO-DD]
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Tigapotide
Loading drug network...