4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[(2S)-5-(dipropylamino)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-pentan-2-yl]benzamide

Systemtic Name: 4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[(2S)-5-(dipropylamino)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: 4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[(1S)-4-(dipropylamino)-1-[2-(1H-indol-3-yl)ethylcarbamoyl]butyl]benzamide CAS Name: 4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[(2S)-5-(dipropylamino)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl]benzamide IUPAC Name: 4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[(2S)-5-(dipropylamino)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl]benzamide Traditional Name: 4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[(1S)-4-(dipropylamino)-1-[2-(1H-indol-3-yl)ethylcarbamoyl]butyl]benzamide Formula: C37H49N9O2 MolecularWeight: 651.84406

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CCCC(C(=O)NCCC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)CN(CC4=NC=CN4)CC5=NC=CN5

Isomeric SMILES

CCCN(CCC)CCC[C@@H](C(=O)NCCC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)CN(CC4=NC=CN4)CC5=NC=CN5

InChI

InChI=1S/C37H49N9O2/c1-3-21-45(22-4-2)23-7-10-33(37(48)42-16-15-30-24-43-32-9-6-5-8-31(30)32)44-36(47)29-13-11-28(12-14-29)25-46(26-34-38-17-18-39-34)27-35-40-19-20-41-35/h5-6,8-9,11-14,17-20,24,33,43H,3-4,7,10,15-16,21-23,25-27H2,1-2H3,(H,38,39)(H,40,41)(H,42,48)(H,44,47)/t33-/m0/s1