Molecules/Plecanatide

Plecanatide

(2S)-2-[[(1R,4S,7S,10S,13S,16R,19S,22S,25R,32S,38R)-10-(2-amino-2-oxoethyl)-25-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]butanoyl]amino]-22-(2-carboxyethyl)-32-[(1R)-1-hydroxyethyl]-4-methyl-19-(2-methylpropyl)-3,6,9,12,15,18,21,24,30,33,36-undecaoxo-7,13-di(propan-2-yl)-27,28,40,41-tetrathia-2,5,8,11,14,17,20,23,31,34,37-undecazabicyclo[14.13.13]dotetracontane-38-carbonyl]amino]-4-methylpentanoic acid

C65H104N18O26S41681.90 g/molCID 70693500

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Molecular Identity

Plecanatide

PubChem CID: 70693500

2D Structure

Properties

C₆₅H₁₀₄N₁₈O₂₆S₄

Molecular Formula

1681.90

Molecular Weight

g/mol

1680.6252

Exact Mass

-8.2

XLogP

Drug-like (Lipinski: < 5)

819

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

3490

Complexity

SMILES

Canonical SMILES

SMILES: CC1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)CNC(=O)C(NC2=O)C(C)O)C(=O)NC(CC(C)C)C(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)C)CC(=O)N)C(C)C)CC(C)C)CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N)N

Isomeric SMILES

SMILES: C[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CC(=O)N)C(C)C)CC(C)C)CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)N

Synonyms(20)

PLECANATIDETrulance467426-54-6Guanilibplecanatida7IK8Z952OKSP-304 (SYNERGY)DTXSID60196933(3-Glutamic acid(D>E))human uroguanylin[3-glutamic acid(D>E)]human uroguanylinplecanatidumRefChem:56535Trulance Immediate releaseA06AX07DTXCID00119424

Data from PubChem (NCBI)

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Molecular Structure

Plecanatide

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Source: PubChem

Drug Network

Trials and conditions connected to Plecanatide

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