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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003158

(2R)-2-[[2-[[(2R)-5-(diaminomethylideneamino)-2-[[(4S,6R,12S,15R,16S)-4-hydroxy-12-(2-methylpropyl)-3-oxo-15-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-9,16-di(propan-2-yl)-8,11,14-trioxa-2,7,10,13-tetrazatricyclo[15.3.1.04,20]henicosa-1(20),17(21),18-triene-6-carbonyl]amino]pentanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Formula: C44H68N14O12  |  Mol. Weight: 985.10 g/mol

IUPAC: (2R)-2-[[2-[[(2R)-5-(diaminomethylideneamino)-2-[[(4S,6R,12S,15R,16S)-4-hydroxy-12-(2-methylpropyl)-3-oxo-15-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-9,16-di(propan-2-yl)-8,11,14-trioxa-2,7,10,13-tetrazatricyclo[15.3.1.04,20]henicosa-1(20),17(21),18-triene-6-carbonyl]amino]pentanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

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Overview

Molecular Formula C44H68N14O12
Molecular Weight 985.10 g/mol
Canonical SMILES CC(C)CC1NOC(C(C2=CC3=C(C=C2)C(CC(NOC(NO1)C(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC4=CN=CN4)C(=O)O)(C(=O)N3)O)C(C)C)NC(=O)C5CCC(=O)N5

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy