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(2S)-2-({[(3S,6S,9S,12S)-12-{[(2S)-4-{[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}-2-amino-4-oxobutanoyl]amino}-6-benzyl-9-(1H-indol-3-ylmethyl)-5,8,11, 14-tetraoxo-1,4,7,10-tetraazacyclotetradecan-3-yl]carbonyl}amino)-4-methylpentanoic acid

Molecular formula:C45H60N10O14
Average mass:965.031
Monoisotopic mass:964.429047
ChemSpider ID:2343247
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11 of 11 defined stereocentres

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Verified

(2S)-2-({[(3S,6S,9S,12S)-12-{[(2S)-4-{[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}-2-amino-4-oxobutanoyl]amino}-6-benzyl-9-(1H-indol-3-ylmethyl)-5,8,11, 14-tetraoxo-1,4,7,10-tetraazacyclotetradecan-3-yl]carbonyl}amino)-4-methylpentanoic acid

[ACD/IUPAC Name]

(2S)-2-({[(3S,6S,9S,12S)-12-{[(2S)-4-{[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}-2-amino-4-oxobutanoyl]amino}-6-benzyl-9-(1H-indol-3-ylmethyl)-5,8,11, 14-tetraoxo-1,4,7,10-tetraazacyclotetradecan-3-yl]carbonyl}amino)-4-methylpentansäure

[German]

[ACD/IUPAC Name]

Acide (2S)-2-({[(3S,6S,9S,12S)-12-{[(2S)-4-{[(2R,3R,4R,5S,6R)-3-acétamido-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]amino}-2-amino-4-oxobutanoyl]amino}-6-benzyl-9-(1H-indol-3-ylméthyl)-5 ,8,11,14-tétraoxo-1,4,7,10-tétraazacyclotétradécan-3-yl]carbonyl}amino)-4-méthylpentanoïque

[French]

[ACD/IUPAC Name]

β-D-Glucopyranosylamine, 2-(acetylamino)-N-[(3S)-3-amino-4-[[(3S,6S,9S,12S)-3-[[[(1S)-1-carboxy-3-methylbutyl]amino]carbonyl]-9-(1H-indol-3-ylmethyl)-5,8,11,14-tetraoxo-6-(phenylmethyl)-1,4,7,10-te traazacyclotetradec-12-yl]amino]-1,4-dioxobutyl]-2-deoxy-

[ACD/Index Name]
Unverified

(2S)-2-[[(3S,6S,9S,12S)-12-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-amino-4-oxobutanoyl]amino]-9-(1H-indol-3-ylmethyl)-5,8,11,14-tetraoxo-6-(phenylmethyl)1,4,7,10-tetrazacyclotetradecane-3-carbonyl]amino]-4-methylpentanoic acid

183747-35-5

[RN]

cyclo(Asn(2-deoxy-2-AcNH-β-D-Glc)-Asp-Trp-Phe-Dap-Leu)cyclo(2β,5β)

Cyclo(N-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-L-asparginyl-L-α-aspartyl-L-tryptophyl-L-phenylalanyl-L-2,3-diaminopropionyl-L-leucyl), cyclic(2-5)-peptide.

MEN-11,420

nepadutant

[INN]
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