NAB815

cas: 1969250-99-4 — see every product listed under this CAS number, including other names

NAB815 (CAS 1969250-99-4) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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catalog numberHY-P11232-Get quote
cas1969250-99-4
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Structural formula: {0} (CAS {1})

N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2R,3S)-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,18-bis(2-aminoethyl)-15-benzyl-9-ethyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]octanamide (CAS 1969250-99-4) is a chemical compound with the molecular formula C55H94N14O14 and a molecular weight of 1175.4 g/mol. IUPAC name: N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2R,3S)-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,18-bis(2-aminoethyl)-15-benzyl-9-ethyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]octanamide. InChIKey: LPQMLYAIIARHKZ-CFYHMUDOSA-N.

Identity
Molecular formulaC55H94N14O14
Molecular weight1175.4 g/mol
IUPAC nameN-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2R,3S)-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,18-bis(2-aminoethyl)-15-benzyl-9-ethyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]octanamide
InChIKeyLPQMLYAIIARHKZ-CFYHMUDOSA-N
SMILESCCCCCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CC)CCN)[C@@H](C)O

Computed by PubChem (NCBI)

Synonyms: orb3142667

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