sodium 3-[2-[2-azanylpropanoyl(phenyl)amino]ethanoylamino]-2-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium 3-[2-[2-azanylpropanoyl(phenyl)amino]ethanoylamino]-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[[2-[N-(2-aminopropanoyl)anilino]acetyl]amino]-2-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[[2-(N-(2-amino-1-oxopropyl)anilino)-1-oxoethyl]amino]-2-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[[2-[N-(2-aminopropanoyl)anilino]acetyl]amino]-2-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[[2-(N-alanylanilino)acetyl]amino]-2-keto-azetidine-1-sulfonate Formula: C14H17N4NaO6S MolecularWeight: 392.36275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC(=O)NC1CN(C1=O)S(=O)(=O)[O-])C2=CC=CC=C2)N.[Na+]

Isomeric SMILES

CC(C(=O)N(CC(=O)NC1CN(C1=O)S(=O)(=O)[O-])C2=CC=CC=C2)N.[Na+]

InChI

InChI=1S/C14H18N4O6S.Na/c1-9(15)13(20)17(10-5-3-2-4-6-10)8-12(19)16-11-7-18(14(11)21)25(22,23)24;/h2-6,9,11H,7-8,15H2,1H3,(H,16,19)(H,22,23,24);/q;+1/p-1