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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011194

(10R,13S,16S,19S,22S,25S,26R)-13-[3-(diaminomethylideneamino)propyl]-22-(2-methylpropyl)-12,15,18,21,24-pentaoxo-25-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-19,26-di(propan-2-yl)-3,5,7,11,14,17,20,23-octazapentacyclo[14.13.2.12,27.15,8.04,30]tritriaconta-1,4(30),6,8(33),27(32),28-hexaene-10-carboxylic acid

Formula: C45H63N13O9  |  Mol. Weight: 930.10 g/mol

IUPAC: (10R,13S,16S,19S,22S,25S,26R)-13-[3-(diaminomethylideneamino)propyl]-22-(2-methylpropyl)-12,15,18,21,24-pentaoxo-25-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-19,26-di(propan-2-yl)-3,5,7,11,14,17,20,23-octazapentacyclo[14.13.2.12,27.15,8.04,30]tritriaconta-1,4(30),6,8(33),27(32),28-hexaene-10-carboxylic acid

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Overview

Molecular Formula C45H63N13O9
Molecular Weight 930.10 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(NC2=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