tert-butyl 6-azanyl-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate

Systemtic Name: tert-butyl 6-azanyl-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate Openeye Name: tert-butyl 6-amino-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]amino]butanoyl]amino]hexanoate CAS Name: 6-amino-2-[[(2R,3S)-3-(1H-indol-3-yl)-1-oxo-2-[[oxo-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]methyl]amino]butyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-amino-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]amino]butanoyl]amino]hexanoate Traditional Name: 6-amino-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbonyl]amino]butanoyl]amino]hexanoic acid tert-butyl ester Formula: C35H47N7O5 MolecularWeight: 645.79158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CNC2=CC=CC=C21)C(C(=O)NC(CCCCN)C(=O)OC(C)(C)C)NC(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

C[C@@H](C1=CNC2=CC=CC=C21)[C@H](C(=O)NC(CCCCN)C(=O)OC(C)(C)C)NC(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C35H47N7O5/c1-22(25-21-37-26-12-6-5-11-24(25)26)30(31(43)38-28(14-9-10-18-36)32(44)47-35(2,3)4)40-33(45)41-19-16-23(17-20-41)42-29-15-8-7-13-27(29)39-34(42)46/h5-8,11-13,15,21-23,28,30,37H,9-10,14,16-20,36H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t22-,28?,30+/m0/s1