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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038855

(2S)-2-[[(8R,9R,12R,15R,18R,21R,27S)-12,15-bis[(2S)-butan-2-yl]-21-[3-(diaminomethylideneamino)propyl]-10,13,16,19,22,25-hexaoxo-9-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-8-propan-2-yl-2,11,14,17,20,23,26,30,32-nonazapentacyclo[16.14.2.13,7.129,32.04,33]hexatriaconta-1(33),3,5,7(36),29(35),30-hexaene-27-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Formula: C54H80N18O11  |  Mol. Weight: 1157.30 g/mol

IUPAC: (2S)-2-[[(8R,9R,12R,15R,18R,21R,27S)-12,15-bis[(2S)-butan-2-yl]-21-[3-(diaminomethylideneamino)propyl]-10,13,16,19,22,25-hexaoxo-9-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-8-propan-2-yl-2,11,14,17,20,23,26,30,32-nonazapentacyclo[16.14.2.13,7.129,32.04,33]hexatriaconta-1(33),3,5,7(36),29(35),30-hexaene-27-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid

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Overview

Molecular Formula C54H80N18O11
Molecular Weight 1157.30 g/mol
Canonical SMILES CCC(C)C1C(=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)CNC(=O)C(NC2=O)CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)N=C6)C(C)CC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy