3-[[2-[2,3-bis(azanyl)propanoylamino]-2-phenyl-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[[2-[2,3-bis(azanyl)propanoylamino]-2-phenyl-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-(2,3-diaminopropanoylamino)-2-phenyl-acetyl]amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-[(2,3-diamino-1-oxopropyl)amino]-1-oxo-2-phenylethyl]amino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-(2,3-diaminopropanoylamino)-2-phenylacetyl]amino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[2-(2,3-diaminopropanoylamino)-2-phenyl-acetyl]amino]-2-keto-azetidine-1-sulfonic acid Formula: C14H19N5O6S MolecularWeight: 385.39556

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)O)NC(=O)C(C2=CC=CC=C2)NC(=O)C(CN)N

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)O)NC(=O)C(C2=CC=CC=C2)NC(=O)C(CN)N

InChI

InChI=1S/C14H19N5O6S/c15-6-9(16)12(20)18-11(8-4-2-1-3-5-8)13(21)17-10-7-19(14(10)22)26(23,24)25/h1-5,9-11H,6-7,15-16H2,(H,17,21)(H,18,20)(H,23,24,25)