(2S)-2-(aminocarbonylamino)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-phenyl-propanamide Openeye Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-phenyl-2-ureido-propanamide CAS Name: (2S)-2-(carbamoylamino)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-3-phenylpropanamide IUPAC Name: (2S)-2-(carbamoylamino)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-3-phenylpropanamide Traditional Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-phenyl-2-ureido-propionamide Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)N)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)N)C

InChI

InChI=1S/C23H31N5O2/c1-3-27-11-13-28(14-12-27)21-10-9-19(15-17(21)2)25-22(29)20(26-23(24)30)16-18-7-5-4-6-8-18/h4-10,15,20H,3,11-14,16H2,1-2H3,(H,25,29)(H3,24,26,30)/p+1/t20-/m0/s1