sodium 3-[2-azanylpropanoyl(phenylmethoxycarbonyl)amino]-3-methoxy-2-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium 3-[2-azanylpropanoyl(phenylmethoxycarbonyl)amino]-3-methoxy-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[2-aminopropanoyl(benzyloxycarbonyl)amino]-3-methoxy-2-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[(2-amino-1-oxopropyl)-phenylmethoxycarbonylamino]-3-methoxy-2-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[2-aminopropanoyl(phenylmethoxycarbonyl)amino]-3-methoxy-2-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[alanyl(carbobenzoxy)amino]-2-keto-3-methoxy-azetidine-1-sulfonate Formula: C15H18N3NaO8S MolecularWeight: 423.37349

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C(=O)OCC1=CC=CC=C1)C2(CN(C2=O)S(=O)(=O)[O-])OC)N.[Na+]

Isomeric SMILES

CC(C(=O)N(C(=O)OCC1=CC=CC=C1)C2(CN(C2=O)S(=O)(=O)[O-])OC)N.[Na+]

InChI

InChI=1S/C15H19N3O8S.Na/c1-10(16)12(19)18(14(21)26-8-11-6-4-3-5-7-11)15(25-2)9-17(13(15)20)27(22,23)24;/h3-7,10H,8-9,16H2,1-2H3,(H,22,23,24);/q;+1/p-1