Molecules/Elisidepsin trifluoroacetate

Elisidepsin trifluoroacetate

(2R)-N-[(2S)-5-amino-1-[[(2R,3S)-1-[[(3S,6Z,9S,12R,15R,18R,19R)-9-benzyl-15-[(2S)-butan-2-yl]-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-1-[(2R)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2R)-3-methyl-2-[[(4S)-4-methylhexanoyl]amino]butanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid

C77H125F3N14O181591.90 g/molCID 46926348

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Molecular Identity

Elisidepsin trifluoroacetate

PubChem CID: 46926348

2D Structure

Properties

C₇₇H₁₂₅F₃N₁₄O₁₈

Molecular Formula

1591.90

Molecular Weight

g/mol

1590.9248

Exact Mass

479

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

3070

Complexity

SMILES

Canonical SMILES

SMILES: CCC(C)CCC(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(CCCN)C(=O)NC(C(C)CC)C(=O)NC2C(OC(=O)C(NC(=O)C(=CC)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)C(C)CC)C(C)C)CC3=CC=CC=C3)C(C)C)C.C(=O)(C(F)(F)F)O

Isomeric SMILES

SMILES: CC[C@H](C)CCC(=O)N[C@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H]2[C@H](OC(=O)[C@@H](NC(=O)/C(=C/C)/NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC2=O)[C@@H](C)CC)C(C)C)CC3=CC=CC=C3)C(C)C)C.C(=O)(C(F)(F)F)O

Synonyms(13)

IrvalecElisidepsin trifluoroacetate3I37B5DY4QRefChem:920896915713-02-9UNII-3I37B5DY4QPM 02734PM02734PM-02734SCHEMBL29582126FUDHRLIJYPGBOX-MWGCIELCSA-NELISIDEPSIN TRIFLUOROACETATE [MI]DA-56939

Data from PubChem (NCBI)

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Molecular Structure

Elisidepsin trifluoroacetate

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Source: PubChem

Drug Network

Trials and conditions connected to Elisidepsin trifluoroacetate

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