Molecules/Disitertide

Disitertide

(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid

C68H109N17O22S21580.80 g/molCID 9833838

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Molecular Identity

Disitertide

PubChem CID: 9833838

2D Structure

Properties

C₆₈H₁₀₉N₁₇O₂₂S₂

Molecular Formula

1580.80

Molecular Weight

g/mol

1579.7375

Exact Mass

-5.6

XLogP

Drug-like (Lipinski: < 5)

692

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

3140

Complexity

SMILES

Canonical SMILES

SMILES: CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(CCSC)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(C(C)O)N

Isomeric SMILES

SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)N

Synonyms(15)

Disitertide272105-42-7Disitertide [INN]UNII-3N988KP8HD3N988KP8HDP144Disitertide TFAorb1709861P144 TFASCHEMBL29377904GLXC-26360AKOS032945122DA-52587T11052Thr-Ser-Leu-Asp-Ala-Ser-Ile-Ile-Trp-Ala-Met-Met-Gln-Asn-OH

Data from PubChem (NCBI)

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Molecular Structure

Disitertide

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Source: PubChem

Drug Network

Trials and conditions connected to Disitertide

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