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

Systemtic Name: sodium 3-[[1-oxidanylidene-1-(phenethylamino)-3-phenyl-propan-2-yl]carbamoyl]-1-(phenylmethyl)aziridine-2-carboxylic acid Openeye Name: sodium 1-benzyl-3-[[1-benzyl-2-oxo-2-(phenethylamino)ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: sodium 3-[oxo-[[1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]amino]methyl]-1-(phenylmethyl)-2-aziridinecarboxylic acid IUPAC Name: sodium 1-benzyl-3-[[1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: sodium 1-benzyl-3-[[1-benzyl-2-keto-2-(phenethylamino)ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C28H29N3NaO4+ MolecularWeight: 494.53733

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3CC4=CC=CC=C4)C(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3CC4=CC=CC=C4)C(=O)O.[Na+]

InChI

InChI=1S/C28H29N3O4.Na/c32-26(29-17-16-20-10-4-1-5-11-20)23(18-21-12-6-2-7-13-21)30-27(33)24-25(28(34)35)31(24)19-22-14-8-3-9-15-22;/h1-15,23-25H,16-19H2,(H,29,32)(H,30,33)(H,34,35);/q;+1