(2S)-2-(aminocarbonylamino)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-propanamide Openeye Name: (2S)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-2-ureido-propanamide CAS Name: (2S)-2-(carbamoylamino)-N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-phenylpropanamide IUPAC Name: (2S)-2-(carbamoylamino)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-phenylpropanamide Traditional Name: (2S)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-2-ureido-propionamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C(CC2=CC=CC=C2)NC(=O)N)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N)[NH+]3CCCC3

InChI

InChI=1S/C23H30N4O3/c1-30-21-12-6-5-11-18(21)20(27-13-7-8-14-27)16-25-22(28)19(26-23(24)29)15-17-9-3-2-4-10-17/h2-6,9-12,19-20H,7-8,13-16H2,1H3,(H,25,28)(H3,24,26,29)/p+1/t19-,20-/m0/s1