(2R)-2-acetamido-N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide

Systemtic Name: (2R)-2-acetamido-N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide Openeye Name: (2R)-2-acetamido-N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-3-(1H-indol-3-yl)propanamide CAS Name: (2R)-2-acetamido-N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-3-(1H-indol-3-yl)propanamide IUPAC Name: (2R)-2-acetamido-N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide Traditional Name: (2R)-2-acetamido-N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-3-(1H-indol-3-yl)propionamide Formula: C23H30N5O2S+ MolecularWeight: 440.5816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC3=NC(=CS3)C[NH+]4CCCCCC4

Isomeric SMILES

CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)NC3=NC(=CS3)C[NH+]4CCCCCC4

InChI

InChI=1S/C23H29N5O2S/c1-16(29)25-21(12-17-13-24-20-9-5-4-8-19(17)20)22(30)27-23-26-18(15-31-23)14-28-10-6-2-3-7-11-28/h4-5,8-9,13,15,21,24H,2-3,6-7,10-12,14H2,1H3,(H,25,29)(H,26,27,30)/p+1/t21-/m1/s1