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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032646

Hv-NCC-1

Formula: C35H42N4O10  |  Mol. Weight: 678.70 g/mol

IUPAC: 3-[5-[[4-(1,2-dihydroxyethyl)-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-2-[2-[[5-formyl-3-(2-hydroxyethyl)-4-methyl-1H-pyrrol-2-yl]methyl]-5-methoxycarbonyl-3-methyl-4-oxo-5,6-dihydro-1H-cyclopenta[b]pyrrol-6-yl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

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Overview

Molecular Formula C35H42N4O10
Molecular Weight 678.70 g/mol
Canonical SMILES CC1=C(C(=O)NC1CC2=C(C(=C(N2)C3C(C(=O)C4=C3NC(=C4C)CC5=C(C(=C(N5)C=O)C)CCO)C(=O)OC)CCC(=O)O)C)C(CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy