Products 1969250-99-4
CAS 1969250-99-4 is the registry number for NAB815. Offered by: MedChemExpress. Available pack sizes: Get quote.
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.
| Molecular formula | C55H94N14O14 |
|---|---|
| Molecular weight | 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 |
| SMILES | CCCCCCCC(=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