3-[2-azanylpropanoyl(phenylmethoxycarbonyl)amino]-2-oxidanylidene-azetidine-1-sulfonate; pyridin-1-ium

Systemtic Name: 3-[2-azanylpropanoyl(phenylmethoxycarbonyl)amino]-2-oxidanylidene-azetidine-1-sulfonate; pyridin-1-ium Openeye Name: 3-[2-aminopropanoyl(benzyloxycarbonyl)amino]-2-oxo-azetidine-1-sulfonate; pyridin-1-ium CAS Name: 3-[(2-amino-1-oxopropyl)-phenylmethoxycarbonylamino]-2-oxo-1-azetidinesulfonate; pyridin-1-ium IUPAC Name: 3-[2-aminopropanoyl(phenylmethoxycarbonyl)amino]-2-oxoazetidine-1-sulfonate; pyridin-1-ium Traditional Name: 3-[alanyl(carbobenzoxy)amino]-2-keto-azetidine-1-sulfonate; pyridin-1-ium Formula: C19H22N4O7S MolecularWeight: 450.46558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C1CN(C1=O)S(=O)(=O)[O-])C(=O)OCC2=CC=CC=C2)N.C1=CC=[NH+]C=C1

Isomeric SMILES

CC(C(=O)N(C1CN(C1=O)S(=O)(=O)[O-])C(=O)OCC2=CC=CC=C2)N.C1=CC=[NH+]C=C1

InChI

InChI=1S/C14H17N3O7S.C5H5N/c1-9(15)12(18)17(11-7-16(13(11)19)25(21,22)23)14(20)24-8-10-5-3-2-4-6-10;1-2-4-6-5-3-1/h2-6,9,11H,7-8,15H2,1H3,(H,21,22,23);1-5H