Products 1814918-91-6

CAS 1814918-91-6 is the registry number for Soralimixin. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-3-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-12-ethyl-3-[(1R)-1-hydroxyethyl]-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]propan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-2,4-dichlorobenzamide (CAS 1814918-91-6) is a chemical compound with the molecular formula C48H80Cl2N16O13 and a molecular weight of 1160.2 g/mol. IUPAC name: N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-3-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-12-ethyl-3-[(1R)-1-hydroxyethyl]-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]propan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-2,4-dichlorobenzamide. InChIKey: XRXBRIQKVLXFMJ-BCLXPCSMSA-N.

Identity
Molecular formulaC48H80Cl2N16O13
Molecular weight1160.2 g/mol
IUPAC nameN-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-3-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-12-ethyl-3-[(1R)-1-hydroxyethyl]-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]propan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-2,4-dichlorobenzamide
InChIKeyXRXBRIQKVLXFMJ-BCLXPCSMSA-N
SMILESCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(C)C)CCN)NC(=O)[C@H](CN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)C2=C(C=C(C=C2)Cl)Cl)[C@@H](C)O)CCN)CCN

Computed by PubChem (NCBI)