2-[[5-(carboxymethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]propanoic acid

Systemtic Name: 2-[[5-(carboxymethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]propanoic acid Openeye Name: 2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]propanoic acid CAS Name: 2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]propanoic acid IUPAC Name: 2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]propanoic acid Traditional Name: 2-[[5-(carboxymethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]propionic acid Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1CSC2=CC=CC=C2N(C1=O)CC(=O)O

Isomeric SMILES

CC(C(=O)O)NC1CSC2=CC=CC=C2N(C1=O)CC(=O)O

InChI

InChI=1S/C14H16N2O5S/c1-8(14(20)21)15-9-7-22-11-5-3-2-4-10(11)16(13(9)19)6-12(17)18/h2-5,8-9,15H,6-7H2,1H3,(H,17,18)(H,20,21)