(2S)-N-cyclohexyl-2-(3-methoxyphenyl)-2-[2-morpholin-4-ium-4-ylethyl(2-thiophen-2-ylethanoyl)amino]ethanamide

Systemtic Name: (2S)-N-cyclohexyl-2-(3-methoxyphenyl)-2-[2-morpholin-4-ium-4-ylethyl(2-thiophen-2-ylethanoyl)amino]ethanamide Openeye Name: (2S)-N-cyclohexyl-2-(3-methoxyphenyl)-2-[2-morpholin-4-ium-4-ylethyl-[2-(2-thienyl)acetyl]amino]acetamide CAS Name: (2S)-N-cyclohexyl-2-(3-methoxyphenyl)-2-[2-(4-morpholin-4-iumyl)ethyl-(1-oxo-2-thiophen-2-ylethyl)amino]acetamide IUPAC Name: (2S)-N-cyclohexyl-2-(3-methoxyphenyl)-2-[2-morpholin-4-ium-4-ylethyl-(2-thiophen-2-ylacetyl)amino]acetamide Traditional Name: (2S)-N-cyclohexyl-2-(3-methoxyphenyl)-2-[2-morpholin-4-ium-4-ylethyl-[2-(2-thienyl)acetyl]amino]acetamide Formula: C27H38N3O4S+ MolecularWeight: 500.67332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C(=O)NC2CCCCC2)N(CC[NH+]3CCOCC3)C(=O)CC4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)[C@@H](C(=O)NC2CCCCC2)N(CC[NH+]3CCOCC3)C(=O)CC4=CC=CS4

InChI

InChI=1S/C27H37N3O4S/c1-33-23-10-5-7-21(19-23)26(27(32)28-22-8-3-2-4-9-22)30(13-12-29-14-16-34-17-15-29)25(31)20-24-11-6-18-35-24/h5-7,10-11,18-19,22,26H,2-4,8-9,12-17,20H2,1H3,(H,28,32)/p+1/t26-/m0/s1