Products 91418-71-2

CAS 91418-71-2 is the registry number for Diacetylsplenopentine. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

(4S)-4-[[(2S)-6-acetamido-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid (CAS 91418-71-2) is a chemical compound with the molecular formula C35H55N9O11 and a molecular weight of 777.9 g/mol. IUPAC name: (4S)-4-[[(2S)-6-acetamido-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid. InChIKey: KSWRINCJIKCVPA-RRUDZPKISA-N.

Identity
Molecular formulaC35H55N9O11
Molecular weight777.9 g/mol
IUPAC name(4S)-4-[[(2S)-6-acetamido-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
InChIKeyKSWRINCJIKCVPA-RRUDZPKISA-N
SMILESCC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C

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