(2S)-4-(2-morpholin-4-ylethylamino)-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate

Systemtic Name: (2S)-4-(2-morpholin-4-ylethylamino)-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2S)-2-(benzylammonio)-4-(2-morpholinoethylamino)-4-oxo-butanoate CAS Name: (2S)-4-[2-(4-morpholinyl)ethylamino]-4-oxo-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2S)-2-(benzylazaniumyl)-4-(2-morpholin-4-ylethylamino)-4-oxobutanoate Traditional Name: (2S)-2-(benzylammonio)-4-keto-4-(2-morpholinoethylamino)butyrate Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CC=C2

Isomeric SMILES

C1COCCN1CCNC(=O)C[C@@H](C(=O)[O-])[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C17H25N3O4/c21-16(18-6-7-20-8-10-24-11-9-20)12-15(17(22)23)19-13-14-4-2-1-3-5-14/h1-5,15,19H,6-13H2,(H,18,21)(H,22,23)/t15-/m0/s1