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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000963

H-Cys-Pro-Lys-Lys-Lys-Arg-Lys-Val-Glu-Asp-Pro-NH2

Formula: C57H103N19O15S  |  Mol. Weight: 1326.60 g/mol

IUPAC: (4S)-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-5-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Overview

Molecular Formula C57H103N19O15S
Molecular Weight 1326.60 g/mol
Canonical SMILES CC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)N1CCCC1C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C2CCCN2C(=O)C(CS)N

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy