sodium 3-[[1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid

Systemtic Name: sodium 3-[[1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: sodium 3-[[1-benzyl-2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: sodium 3-[[[1-[2-(4-methoxyphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: sodium 3-[[1-[2-(4-methoxyphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: sodium 3-[[1-benzyl-2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C22H25N3NaO5+ MolecularWeight: 434.44077

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)O.[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)O.[Na+]

InChI

InChI=1S/C22H25N3O5.Na/c1-30-16-9-7-14(8-10-16)11-12-23-20(26)17(13-15-5-3-2-4-6-15)24-21(27)18-19(25-18)22(28)29;/h2-10,17-19,25H,11-13H2,1H3,(H,23,26)(H,24,27)(H,28,29);/q;+1