[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]-[(4-methoxy-3-methoxycarbonyl-phenyl)methyl]azanium

Systemtic Name: [(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]-[(4-methoxy-3-methoxycarbonyl-phenyl)methyl]azanium Openeye Name: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl]-[(4-methoxy-3-methoxycarbonyl-phenyl)methyl]ammonium CAS Name: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(4-methoxy-3-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(4-methoxy-3-methoxycarbonylphenyl)methyl]azanium Traditional Name: (3-carbomethoxy-4-methoxy-benzyl)-[(1S)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-ethyl]ammonium Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)[NH2+]CC2=CC(=C(C=C2)OC)C(=O)OC

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH2+]CC2=CC(=C(C=C2)OC)C(=O)OC

InChI

InChI=1S/C21H25N3O5/c1-4-22-21(27)24-19(25)18(15-8-6-5-7-9-15)23-13-14-10-11-17(28-2)16(12-14)20(26)29-3/h5-12,18,23H,4,13H2,1-3H3,(H2,22,24,25,27)/p+1/t18-/m0/s1