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

Systemtic Name: 6-azanyl-2-[[5-(carboxymethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]hexanoic acid Openeye Name: 6-amino-2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]hexanoic acid CAS Name: 6-amino-2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]hexanoic acid Traditional Name: 6-amino-2-[[5-(carboxymethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]hexanoic acid Formula: C17H23N3O5S MolecularWeight: 381.44662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N(C1=O)CC(=O)O)NC(CCCCN)C(=O)O

Isomeric SMILES

C1C(SC2=CC=CC=C2N(C1=O)CC(=O)O)NC(CCCCN)C(=O)O

InChI

InChI=1S/C17H23N3O5S/c18-8-4-3-5-11(17(24)25)19-14-9-15(21)20(10-16(22)23)12-6-1-2-7-13(12)26-14/h1-2,6-7,11,14,19H,3-5,8-10,18H2,(H,22,23)(H,24,25)