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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015364

(2S)-2-azaniumyl-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoate

Formula: C20H32N6O12S2  |  Mol. Weight: 612.60 g/mol

IUPAC: (2S)-2-azaniumyl-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoate

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Overview

Molecular Formula C20H32N6O12S2
Molecular Weight 612.60 g/mol
Canonical SMILES C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)[O-])[NH3+])C(=O)NCC(=O)O)C(C(=O)[O-])[NH3+]

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy