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

Systemtic Name: sodium 3-[[1-oxidanylidene-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: sodium 3-[[2-(allylamino)-1-benzyl-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: sodium 3-[oxo-[[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]amino]methyl]-2-aziridinecarboxylic acid IUPAC Name: sodium 3-[[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: sodium 3-[[2-(allylamino)-1-benzyl-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C16H19N3NaO4+ MolecularWeight: 340.32953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4.Na/c1-2-8-17-14(20)11(9-10-6-4-3-5-7-10)18-15(21)12-13(19-12)16(22)23;/h2-7,11-13,19H,1,8-9H2,(H,17,20)(H,18,21)(H,22,23);/q;+1