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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037673

Chickpea CLAP

Formula: C93H142N26O23S  |  Mol. Weight: 2024.40 g/mol

IUPAC: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid

Overview

Molecular Formula C93H142N26O23S
Molecular Weight 2024.40 g/mol
Canonical SMILES CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NCC(=O)NCC(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(C)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C4CCCN4C(=O)C(CC(=O)N)NC(=O)C5CCCN5

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy