(2S)-2-[[3-[[(4-cyanophenyl)methyl-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]amino]methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[3-[[(4-cyanophenyl)methyl-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]amino]methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[3-[[(4-cyanophenyl)methyl-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]amino]methyl]benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[3-[[(4-cyanophenyl)methyl-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]amino]methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[3-[[(4-cyanophenyl)methyl-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]amino]methyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[3-[[(4-cyanobenzyl)-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]amino]methyl]benzoyl]amino]-4-(methylthio)butyric acid Formula: C33H32N6O3S MolecularWeight: 592.71058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)CN(CC2=CC=C(C=C2)C#N)CC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1=CC(=CC=C1)CN(CC2=CC=C(C=C2)C#N)CC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C33H32N6O3S/c1-43-14-13-31(33(41)42)37-32(40)29-4-2-3-28(15-29)20-38(19-26-9-5-24(16-34)6-10-26)22-30-18-36-23-39(30)21-27-11-7-25(17-35)8-12-27/h2-12,15,18,23,31H,13-14,19-22H2,1H3,(H,37,40)(H,41,42)/t31-/m0/s1