N-[2-[[2-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-9-phenylazanyl-acridine-4-carboxamide

Systemtic Name: N-[2-[[2-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-9-phenylazanyl-acridine-4-carboxamide Openeye Name: N-[2-[[2-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]-9-anilino-acridine-4-carboxamide CAS Name: N-[2-[[2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-9-anilino-4-acridinecarboxamide IUPAC Name: N-[2-[[2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-9-anilinoacridine-4-carboxamide Traditional Name: N-[2-[[2-[[(1S)-2-amino-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]-9-anilino-acridine-4-carboxamide Formula: C27H26N6O4 MolecularWeight: 498.53314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)CNC(=O)CNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N)NC(=O)CNC(=O)CNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC=CC=C4

InChI

InChI=1S/C27H26N6O4/c1-16(26(28)36)31-23(35)15-29-22(34)14-30-27(37)20-12-7-11-19-24(32-17-8-3-2-4-9-17)18-10-5-6-13-21(18)33-25(19)20/h2-13,16H,14-15H2,1H3,(H2,28,36)(H,29,34)(H,30,37)(H,31,35)(H,32,33)/t16-/m0/s1