N-[(2S)-1-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide Openeye Name: N-[(1S)-1-benzyl-2-[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]amino]-2-oxo-ethyl]benzamide CAS Name: N-[(2S)-1-[[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]amino]ethyl]benzamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C26H29N3O3S/c30-25(21-10-5-2-6-11-21)28-22(18-20-8-3-1-4-9-20)26(31)27-19-23(24-12-7-17-33-24)29-13-15-32-16-14-29/h1-12,17,22-23H,13-16,18-19H2,(H,27,31)(H,28,30)/p+1/t22-,23-/m0/s1