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

Systemtic Name: [(2S)-2-(2-azanylethanoylamino)-3-methoxy-3-oxidanylidene-propyl] 9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [(2S)-2-[(2-aminoacetyl)amino]-3-methoxy-3-oxo-propyl] 9,10-dioxoanthracene-2-carboxylate CAS Name: 9,10-dioxo-2-anthracenecarboxylic acid [(2S)-2-[(2-amino-1-oxoethyl)amino]-3-methoxy-3-oxopropyl] ester IUPAC Name: [(2S)-2-[(2-aminoacetyl)amino]-3-methoxy-3-oxopropyl] 9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketoanthracene-2-carboxylic acid [(2S)-2-(glycylamino)-3-keto-3-methoxy-propyl] ester Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H](COC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)NC(=O)CN

InChI

InChI=1S/C21H18N2O7/c1-29-21(28)16(23-17(24)9-22)10-30-20(27)11-6-7-14-15(8-11)19(26)13-5-3-2-4-12(13)18(14)25/h2-8,16H,9-10,22H2,1H3,(H,23,24)/t16-/m0/s1