Dnajp1
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanedioic acid
Molecular Identity
Dnajp1
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanedioic acid
PubChem CID: 16141649
2D Structure
Properties
C78H111N23O24
Molecular Formula
1754.90
Molecular Weight
g/mol
1753.8172
Exact Mass
Da
-10.2
XLogP
Drug-like (Lipinski: < 5)
789
TPSA
May have limited oral absorption
27
H-Bond Donors
28
H-Bond Acceptors
3690
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCC(=O)NC(CC3=CN=CN3)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)N)NIsomeric SMILES
SMILES: C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NCC(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NSynonyms(10)
Dnajp1At-001(dnajp1)I99M8K8AXT163362-49-0Gln-Lys-Arg-Ala-Ala-Tyr-Asp-Gln-Tyr-Gly-His-Ala-Ala-Phe-GluUNII-I99M8K8AXTSCHEMBL29366375(2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-((2-(((2S)-2-(((2S)-5-Amino-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-6-amino-2-(((2S)-2,5-diamino-5-oxo-pentanoyl)amino)hexanoyl)amino)-5-guanidino-pentanoyl)amino)propanoyl)amino)propanoyl)amino)-3L-GLUTAMIC ACID, L-GLUTAMINYL-L-LYSYL-L-ARGINYL-L-ALANYL-L-ALANYL-L-TYROSYL-L-.ALPHA.-ASPARTYL-L-GLUTAMINYL-L-TYROSYLGLYCYL-L-HISTIDYL-L-ALANYL-L-ALANYL-L-PHENYLALANYL-L-Glutamic acid, L-glutaminyl-L-lysyl-L-arginyl-L-alanyl-L-alanyl-L-tyrosyl-L-alpha-aspartyl-L-glutaminyl-L-tyrosylglycyl-L-histidyl-L-alanyl-L-alanyl-L-phenylalanyl-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dnajp1
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