N-[(2S)-1-(cyclododecylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-9,10-bis(oxidanylidene)anthracene-2-carboxamide

Systemtic Name: N-[(2S)-1-(cyclododecylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-9,10-bis(oxidanylidene)anthracene-2-carboxamide Openeye Name: N-[(1S)-2-(cyclododecylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-9,10-dioxo-anthracene-2-carboxamide CAS Name: N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-9,10-dioxo-2-anthracenecarboxamide IUPAC Name: N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-9,10-dioxoanthracene-2-carboxamide Traditional Name: N-[(1S)-2-(cyclododecylamino)-2-keto-1-methylol-ethyl]-9,10-diketo-anthracene-2-carboxamide Formula: C30H36N2O5 MolecularWeight: 504.61724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)NC(=O)C(CO)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCCCC(CCCCC1)NC(=O)[C@H](CO)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C30H36N2O5/c33-19-26(30(37)31-21-12-8-6-4-2-1-3-5-7-9-13-21)32-29(36)20-16-17-24-25(18-20)28(35)23-15-11-10-14-22(23)27(24)34/h10-11,14-18,21,26,33H,1-9,12-13,19H2,(H,31,37)(H,32,36)/t26-/m0/s1