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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022457

H-Ala-Arg-Cys(1)-Cys(2)-Leu-Val-Met-Pro-Val-Pro-Pro-Phe-Ala-Cys(1)-Val-Lys-Phe-Cys(2)-Ser-OH

Formula: C92H143N23O21S5  |  Mol. Weight: 2067.60 g/mol

IUPAC: (2S)-2-[[(1R,4S,7S,10S,16S,22S,25S,31S,34S,37S,40R,45R,48S,51S,54S,61R)-51-(4-aminobutyl)-61-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-7,48-dibenzyl-4-methyl-37-(2-methylpropyl)-31-(2-methylsulfanylethyl)-3,6,9,15,21,24,30,33,36,39,47,50,53,56,62-pentadecaoxo-22,34,54-tri(propan-2-yl)-42,43,58,59-tetrathia-2,5,8,14,20,23,29,32,35,38,46,49,52,55,63-pentadecazapentacyclo[38.16.7.010,14.016,20.025,29]trihexacontane-45-carbonyl]amino]-3-hydroxypropanoic acid

Overview

Molecular Formula C92H143N23O21S5
Molecular Weight 2067.60 g/mol
Canonical SMILES CC1C(=O)NC2CSSCC(C(=O)NC(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)C(C)C)CCCCN)CC3=CC=CC=C3)C(=O)NC(CO)C(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4CCCC4C(=O)NC(C(=O)N5CCCC5C(=O)N6CCCC6C(=O)NC(C(=O)N1)CC7=CC=CC=C7)C(C)C)CCSC)C(C)C)CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)N

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy