Desglugastrin

5-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

CAS: 51987-65-6

Molecular Formula	`C49H61N9O13`
Molecular Weight	984.1 g/mol
LogP	1.5
Topological Polar Surface Area	357.0 A2
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	13
Rotatable Bonds	28
Exact Mass	983.4389
Heavy Atoms	71
Complexity	1850.0

Chemical Identifiers

CAS Number	51987-65-6
SMILES	`CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C)NC(=O)CCCC(=O)O`
InChIKey	`BRUVESZIOCJLDB-GJPUTSFASA-N`

📖 Product Overview

Desglugastrin (CAS: 51987-65-6) is a chemical compound with molecular formula C49H61N9O13 and molecular weight 984.1 g/mol. Its IUPAC systematic name is 5-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid. LogP 1.5 Topological Polar Surface Area 357.0 A2 Hydrogen Bond Donors 12 Hydrogen Bond Acceptors 13 Rotatable Bonds 28 Exact Mass 983.4389 Heavy Atoms 71 Complexity 1850.0 InChI Key: BRUVESZIOCJLDB-GJPUTSFASA-N. SMILES: CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C)NC(=O)CCCC(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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