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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004222

H-Gly-Lys-Lys-Ile-Ala-Thr-Tyr-Gln-Glu-Arg-OH

Formula: C52H88N16O16  |  Mol. Weight: 1193.40 g/mol

IUPAC: (4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-5-oxopentanoic acid

Overview

Molecular Formula C52H88N16O16
Molecular Weight 1193.40 g/mol
Canonical SMILES CCC(C)C(C(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CN

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy