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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N6O4/c1-16(26(36)29-14-22(28)34)31-23(35)15-30-27(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,(H2,28,34)(H,29,36)(H,30,37)(H,31,35)(H,32,33)/t16-/m0/s1