[(2S)-2-(3-aminocarbonyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]-[(2R)-4-phenylbutan-2-yl]-prop-2-enyl-azanium

Systemtic Name: [(2S)-2-(3-aminocarbonyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]-[(2R)-4-phenylbutan-2-yl]-prop-2-enyl-azanium Openeye Name: allyl-[(2S)-2-(3-carbamoyl-4-hydroxy-phenyl)-2-hydroxy-ethyl]-[(1R)-1-methyl-3-phenyl-propyl]ammonium CAS Name: [(2S)-2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]-[(2R)-4-phenylbutan-2-yl]-prop-2-enylammonium IUPAC Name: [(2S)-2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]-[(2R)-4-phenylbutan-2-yl]-prop-2-enylazanium Traditional Name: allyl-[(2S)-2-(3-carbamoyl-4-hydroxy-phenyl)-2-hydroxy-ethyl]-[(1R)-1-methyl-3-phenyl-propyl]ammonium Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH+](CC=C)CC(C2=CC(=C(C=C2)O)C(=O)N)O

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH+](CC=C)C[C@H](C2=CC(=C(C=C2)O)C(=O)N)O

InChI

InChI=1S/C22H28N2O3/c1-3-13-24(16(2)9-10-17-7-5-4-6-8-17)15-21(26)18-11-12-20(25)19(14-18)22(23)27/h3-8,11-12,14,16,21,25-26H,1,9-10,13,15H2,2H3,(H2,23,27)/p+1/t16-,21-/m1/s1