3-[2-azanylpropanoyl(phenylmethoxycarbonyl)amino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[2-azanylpropanoyl(phenylmethoxycarbonyl)amino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[2-aminopropanoyl(benzyloxycarbonyl)amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[(2-amino-1-oxopropyl)-phenylmethoxycarbonylamino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[2-aminopropanoyl(phenylmethoxycarbonyl)amino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 3-[alanyl(carbobenzoxy)amino]-2-keto-azetidine-1-sulfonic acid Formula: C14H17N3O7S MolecularWeight: 371.36568

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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

Isomeric SMILES

CC(C(=O)N(C1CN(C1=O)S(=O)(=O)O)C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C14H17N3O7S/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/h2-6,9,11H,7-8,15H2,1H3,(H,21,22,23)