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

Systemtic Name: 3-[2-[2-azanylpropanoyl(phenyl)amino]ethanoylamino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-[N-(2-aminopropanoyl)anilino]acetyl]amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-(N-(2-amino-1-oxopropyl)anilino)-1-oxoethyl]amino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-[N-(2-aminopropanoyl)anilino]acetyl]amino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[2-(N-alanylanilino)acetyl]amino]-2-keto-azetidine-1-sulfonic acid Formula: C14H18N4O6S MolecularWeight: 370.38092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC(=O)NC1CN(C1=O)S(=O)(=O)O)C2=CC=CC=C2)N

Isomeric SMILES

CC(C(=O)N(CC(=O)NC1CN(C1=O)S(=O)(=O)O)C2=CC=CC=C2)N

InChI

InChI=1S/C14H18N4O6S/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)