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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014062

Celogentin C

Formula: C50H70N14O10  |  Mol. Weight: 1027.20 g/mol

IUPAC: (7S,10S,13S,19S,22S,25S,28S,29R)-10-[3-(diaminomethylideneamino)propyl]-25-(2-methylpropyl)-9,12,18,21,24,27-hexaoxo-28-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-22,29-di(propan-2-yl)-2,4,8,11,17,20,23,26,35-nonazahexacyclo[17.16.2.12,5.130,34.013,17.033,36]nonatriaconta-1(36),3,5(39),30(38),31,33-hexaene-7-carboxylic acid

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Overview

Molecular Formula C50H70N14O10
Molecular Weight 1027.20 g/mol
Canonical SMILES CC(C)CC1C(=O)NC(C(=O)NC2CC3=C(NC4=C3C=CC(=C4)C(C(C(=O)N1)NC(=O)C5CCC(=O)N5)C(C)C)N6C=C(CC(NC(=O)C(NC(=O)C7CCCN7C2=O)CCCN=C(N)N)C(=O)O)N=C6)C(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy