[(2S)-2-(2-acetamidoethanoylamino)-3-methoxy-3-oxidanylidene-propyl] 9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [(2S)-2-(2-acetamidoethanoylamino)-3-methoxy-3-oxidanylidene-propyl] 9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [(2S)-2-[(2-acetamidoacetyl)amino]-3-methoxy-3-oxo-propyl] 9,10-dioxoanthracene-2-carboxylate CAS Name: 9,10-dioxo-2-anthracenecarboxylic acid [(2S)-2-[(2-acetamido-1-oxoethyl)amino]-3-methoxy-3-oxopropyl] ester IUPAC Name: [(2S)-2-[(2-acetamidoacetyl)amino]-3-methoxy-3-oxopropyl] 9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketoanthracene-2-carboxylic acid [(2S)-2-[(2-acetamidoacetyl)amino]-3-keto-3-methoxy-propyl] ester Formula: C23H20N2O8 MolecularWeight: 452.4135

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)NC(COC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

CC(=O)NCC(=O)N[C@@H](COC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C23H20N2O8/c1-12(26)24-10-19(27)25-18(23(31)32-2)11-33-22(30)13-7-8-16-17(9-13)21(29)15-6-4-3-5-14(15)20(16)28/h3-9,18H,10-11H2,1-2H3,(H,24,26)(H,25,27)/t18-/m0/s1