Molecules/D-Ala-D-Ala-Leu-Pro-Ile-Pro-Leu-Asp-Gln-Thr-D-Ala-D-Ala-NH2

D-Ala-D-Ala-Leu-Pro-Ile-Pro-Leu-Asp-Gln-Thr-D-Ala-D-Ala-NH2

(3S)-4-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid

C53H90N14O161179.40 g/molCID 154731782

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Molecular Identity

D-Ala-D-Ala-Leu-Pro-Ile-Pro-Leu-Asp-Gln-Thr-D-Ala-D-Ala-NH2

PubChem CID: 154731782

2D Structure

Properties

C₅₃H₉₀N₁₄O₁₆

Molecular Formula

1179.40

Molecular Weight

g/mol

1178.6659

Exact Mass

-4.5

XLogP

Drug-like (Lipinski: < 5)

472

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

2370

Complexity

SMILES

Canonical SMILES

SMILES: CCC(C)C(C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(C)C(=O)N)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)N

Isomeric SMILES

SMILES: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)N

Synonyms(6)

SPX-101D-Ala-D-Ala-Leu-Pro-Ile-Pro-Leu-Asp-Gln-Thr-D-Ala-D-Ala-NH22219362-20-4A6KAB92LQ7CHEMBL6068525GLXC-21348

Data from PubChem (NCBI)

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Molecular Structure

D-Ala-D-Ala-Leu-Pro-Ile-Pro-Leu-Asp-Gln-Thr-D-Ala-D-Ala-NH2

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Source: PubChem

Drug Network

Trials and conditions connected to D-Ala-D-Ala-Leu-Pro-Ile-Pro-Leu-Asp-Gln-Thr-D-Ala-D-Ala-NH2

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