N-[(2R)-3-[4-azanyl-3,5-bis(bromanyl)phenyl]-1-[[(2S)-6-azanyl-1-oxidanylidene-1-piperazin-1-yl-hexan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-4-phenyl-butanamide dihydrobromide

Systemtic Name: N-[(2R)-3-[4-azanyl-3,5-bis(bromanyl)phenyl]-1-[[(2S)-6-azanyl-1-oxidanylidene-1-piperazin-1-yl-hexan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-4-phenyl-butanamide dihydrobromide Openeye Name: N-[(1R)-1-[(4-amino-3,5-dibromo-phenyl)methyl]-2-[[(1S)-5-amino-1-(piperazine-1-carbonyl)pentyl]amino]-2-oxo-ethyl]-4-phenyl-butanamide dihydrobromide CAS Name: N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[[(2S)-6-amino-1-oxo-1-(1-piperazinyl)hexan-2-yl]amino]-1-oxopropan-2-yl]-4-phenylbutanamide dihydrobromide IUPAC Name: N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[[(2S)-6-amino-1-oxo-1-piperazin-1-ylhexan-2-yl]amino]-1-oxopropan-2-yl]-4-phenylbutanamide dihydrobromide Traditional Name: N-[(1R)-1-(4-amino-3,5-dibromo-benzyl)-2-[[(1S)-5-amino-1-(piperazine-1-carbonyl)pentyl]amino]-2-keto-ethyl]-4-phenyl-butyramide dihydrobromide Formula: C29H42Br4N6O3 MolecularWeight: 842.29818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C(CCCCN)NC(=O)C(CC2=CC(=C(C(=C2)Br)N)Br)NC(=O)CCCC3=CC=CC=C3.Br.Br

Isomeric SMILES

C1CN(CCN1)C(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CC(=C(C(=C2)Br)N)Br)NC(=O)CCCC3=CC=CC=C3.Br.Br

InChI

InChI=1S/C29H40Br2N6O3.2BrH/c30-22-17-21(18-23(31)27(22)33)19-25(35-26(38)11-6-9-20-7-2-1-3-8-20)28(39)36-24(10-4-5-12-32)29(40)37-15-13-34-14-16-37;;/h1-3,7-8,17-18,24-25,34H,4-6,9-16,19,32-33H2,(H,35,38)(H,36,39);2*1H/t24-,25+;;/m0../s1