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

Systemtic Name: sodium 3-[[1-(cyclohexylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: sodium 3-[[1-benzyl-2-(cyclohexylamino)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: sodium 3-[[[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: sodium 3-[[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: sodium 3-[[1-benzyl-2-(cyclohexylamino)-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C19H25N3NaO4+ MolecularWeight: 382.40927

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)O.[Na+]

Isomeric SMILES

C1CCC(CC1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)O.[Na+]

InChI

InChI=1S/C19H25N3O4.Na/c23-17(20-13-9-5-2-6-10-13)14(11-12-7-3-1-4-8-12)21-18(24)15-16(22-15)19(25)26;/h1,3-4,7-8,13-16,22H,2,5-6,9-11H2,(H,20,23)(H,21,24)(H,25,26);/q;+1