sodium 3-[[1-oxidanylidene-3-phenyl-1-(3-propan-2-yloxypropylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylic acid

Systemtic Name: sodium 3-[[1-oxidanylidene-3-phenyl-1-(3-propan-2-yloxypropylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: sodium 3-[[1-benzyl-2-(3-isopropoxypropylamino)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: sodium 3-[oxo-[[1-oxo-3-phenyl-1-(3-propan-2-yloxypropylamino)propan-2-yl]amino]methyl]-2-aziridinecarboxylic acid IUPAC Name: sodium 3-[[1-oxo-3-phenyl-1-(3-propan-2-yloxypropylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: sodium 3-[[1-benzyl-2-(3-isopropoxypropylamino)-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C19H27N3NaO5+ MolecularWeight: 400.42455

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(N2)C(=O)O.[Na+]

Isomeric SMILES

CC(C)OCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(N2)C(=O)O.[Na+]

InChI

InChI=1S/C19H27N3O5.Na/c1-12(2)27-10-6-9-20-17(23)14(11-13-7-4-3-5-8-13)21-18(24)15-16(22-15)19(25)26;/h3-5,7-8,12,14-16,22H,6,9-11H2,1-2H3,(H,20,23)(H,21,24)(H,25,26);/q;+1