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

Systemtic Name: sodium 3-[[1-(hexylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: sodium 3-[[1-benzyl-2-(hexylamino)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: sodium 3-[[[1-(hexylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: sodium 3-[[1-(hexylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: sodium 3-[[1-benzyl-2-(hexylamino)-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C19H27N3NaO4+ MolecularWeight: 384.42515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4.Na/c1-2-3-4-8-11-20-17(23)14(12-13-9-6-5-7-10-13)21-18(24)15-16(22-15)19(25)26;/h5-7,9-10,14-16,22H,2-4,8,11-12H2,1H3,(H,20,23)(H,21,24)(H,25,26);/q;+1