sodium 3-[[1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-1-(phenylmethyl)aziridine-2-carboxylate

Systemtic Name: sodium 3-[[1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-1-(phenylmethyl)aziridine-2-carboxylate Openeye Name: sodium 1-benzyl-3-[[1-benzyl-2-(1-naphthylmethylamino)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: sodium 3-[[[1-(1-naphthalenylmethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1-(phenylmethyl)-2-aziridinecarboxylate IUPAC Name: sodium 1-benzyl-3-[[1-(naphthalen-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: sodium 1-benzyl-3-[[1-benzyl-2-keto-2-(1-naphthylmethylamino)ethyl]carbamoyl]ethylenimine-2-carboxylate Formula: C31H28N3NaO4 MolecularWeight: 529.56149

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CC3=CC=CC=C32)NC(=O)C4C(N4CC5=CC=CC=C5)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CC3=CC=CC=C32)NC(=O)C4C(N4CC5=CC=CC=C5)C(=O)[O-].[Na+]

InChI

InChI=1S/C31H29N3O4.Na/c35-29(32-19-24-16-9-15-23-14-7-8-17-25(23)24)26(18-21-10-3-1-4-11-21)33-30(36)27-28(31(37)38)34(27)20-22-12-5-2-6-13-22;/h1-17,26-28H,18-20H2,(H,32,35)(H,33,36)(H,37,38);/q;+1/p-1