2-azanyl-3-(1H-imidazol-5-yl)-N-[3-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-1-(1-oxidanylidenepropan-2-ylamino)propan-2-yl]propanamide

Systemtic Name: 2-azanyl-3-(1H-imidazol-5-yl)-N-[3-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-1-(1-oxidanylidenepropan-2-ylamino)propan-2-yl]propanamide Openeye Name: 2-amino-3-(1H-imidazol-5-yl)-N-[1-[(2-methyl-1H-indol-3-yl)methyl]-2-[(1-methyl-2-oxo-ethyl)amino]-2-oxo-ethyl]propanamide CAS Name: 2-amino-3-(1H-imidazol-5-yl)-N-[3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide IUPAC Name: 2-amino-3-(1H-imidazol-5-yl)-N-[3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide Traditional Name: 2-amino-3-(1H-imidazol-5-yl)-N-[2-keto-2-[(2-keto-1-methyl-ethyl)amino]-1-[(2-methyl-1H-indol-3-yl)methyl]ethyl]propionamide Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)CC(C(=O)NC(C)C=O)NC(=O)C(CC3=CN=CN3)N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)CC(C(=O)NC(C)C=O)NC(=O)C(CC3=CN=CN3)N

InChI

InChI=1S/C21H26N6O3/c1-12(10-28)25-21(30)19(27-20(29)17(22)7-14-9-23-11-24-14)8-16-13(2)26-18-6-4-3-5-15(16)18/h3-6,9-12,17,19,26H,7-8,22H2,1-2H3,(H,23,24)(H,25,30)(H,27,29)