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

Systemtic Name: sodium 3-[[1-(3-methoxypropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: sodium 3-[[1-benzyl-2-(3-methoxypropylamino)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: sodium 3-[[[1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: sodium 3-[[1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: sodium 3-[[1-benzyl-2-keto-2-(3-methoxypropylamino)ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C17H23N3NaO5+ MolecularWeight: 372.37139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5.Na/c1-25-9-5-8-18-15(21)12(10-11-6-3-2-4-7-11)19-16(22)13-14(20-13)17(23)24;/h2-4,6-7,12-14,20H,5,8-10H2,1H3,(H,18,21)(H,19,22)(H,23,24);/q;+1