N-[2-[[2-[[(2S)-1-azanyl-3-oxidanyl-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-3-oxidanyl-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-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]-9-anilino-acridine-4-carboxamide CAS Name: N-[2-[[2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-9-anilino-4-acridinecarboxamide IUPAC Name: N-[2-[[2-[[(2S)-1-amino-3-hydroxy-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-methylol-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]-9-anilino-acridine-4-carboxamide Formula: C27H26N6O5 MolecularWeight: 514.53254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)NCC(=O)NCC(=O)NC(CO)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N

InChI

InChI=1S/C27H26N6O5/c28-26(37)21(15-34)32-23(36)14-29-22(35)13-30-27(38)19-11-6-10-18-24(31-16-7-2-1-3-8-16)17-9-4-5-12-20(17)33-25(18)19/h1-12,21,34H,13-15H2,(H2,28,37)(H,29,35)(H,30,38)(H,31,33)(H,32,36)/t21-/m0/s1