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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002320

2-[[(10S,16S,21S,24S,27S,28R)-21-butan-2-yl-16-[3-(diaminomethylideneamino)propyl]-24-(2-methylpropyl)-12,15,17,20,23,26-hexaoxo-27-[[2-oxo-2-[(2S)-5-oxopyrrolidin-2-yl]acetyl]amino]-28-propan-2-yl-3,5,7,11,14,19,22,25-octazapentacyclo[16.13.2.12,29.15,8.04,32]pentatriaconta-1,4(32),6,8(35),29(34),30-hexaene-10-carbonyl]amino]butanedioic acid

Formula: C53H72N14O14  |  Mol. Weight: 1129.20 g/mol

IUPAC: 2-[[(10S,16S,21S,24S,27S,28R)-21-butan-2-yl-16-[3-(diaminomethylideneamino)propyl]-24-(2-methylpropyl)-12,15,17,20,23,26-hexaoxo-27-[[2-oxo-2-[(2S)-5-oxopyrrolidin-2-yl]acetyl]amino]-28-propan-2-yl-3,5,7,11,14,19,22,25-octazapentacyclo[16.13.2.12,29.15,8.04,32]pentatriaconta-1,4(32),6,8(35),29(34),30-hexaene-10-carbonyl]amino]butanedioic acid

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Overview

Molecular Formula C53H72N14O14
Molecular Weight 1129.20 g/mol
Canonical SMILES CCC(C)C1C(=O)NC2CC3=C(NC4=C3C=CC(=C4)C(C(C(=O)NC(C(=O)N1)CC(C)C)NC(=O)C(=O)C5CCC(=O)N5)C(C)C)N6C=C(CC(NC(=O)CNC(=O)C(C2=O)CCCN=C(N)N)C(=O)NC(CC(=O)O)C(=O)O)N=C6

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy