Acetalin-3

cas: 152274-65-2 — see every product listed under this CAS number, including other names

Acetalin-3 (CAS 152274-65-2) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas152274-65-2
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Structural formula: {0} (CAS {1})

(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide (CAS 152274-65-2) is a chemical compound with the molecular formula C42H61N11O8S2 and a molecular weight of 912.1 g/mol. IUPAC name: (2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide. InChIKey: DMTZIUBOLRXDOX-NZDDJJKGSA-N.

Identity
Molecular formulaC42H61N11O8S2
Molecular weight912.1 g/mol
IUPAC name(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
InChIKeyDMTZIUBOLRXDOX-NZDDJJKGSA-N
SMILESC[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C)O

Computed by PubChem (NCBI)

Synonyms: Acetalin-3, orb2563809

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