3-[[2-[[2-azanyl-4-(methylamino)-4-oxidanylidene-butanoyl]amino]-2-phenyl-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[[2-[[2-azanyl-4-(methylamino)-4-oxidanylidene-butanoyl]amino]-2-phenyl-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-[[2-amino-4-(methylamino)-4-oxo-butanoyl]amino]-2-phenyl-acetyl]amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-[[2-amino-4-(methylamino)-1,4-dioxobutyl]amino]-1-oxo-2-phenylethyl]amino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-[[2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-phenylacetyl]amino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[2-[[2-amino-4-keto-4-(methylamino)butanoyl]amino]-2-phenyl-acetyl]amino]-2-keto-azetidine-1-sulfonic acid Formula: C16H21N5O7S MolecularWeight: 427.43224

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC(C(=O)NC(C1=CC=CC=C1)C(=O)NC2CN(C2=O)S(=O)(=O)O)N

Isomeric SMILES

CNC(=O)CC(C(=O)NC(C1=CC=CC=C1)C(=O)NC2CN(C2=O)S(=O)(=O)O)N

InChI

InChI=1S/C16H21N5O7S/c1-18-12(22)7-10(17)14(23)20-13(9-5-3-2-4-6-9)15(24)19-11-8-21(16(11)25)29(26,27)28/h2-6,10-11,13H,7-8,17H2,1H3,(H,18,22)(H,19,24)(H,20,23)(H,26,27,28)