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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=CC=CC=C2S1)CC(=O)O)NC(CCCCN)C(=O)O

Isomeric SMILES

C1C(C(=O)N(C2=CC=CC=C2S1)CC(=O)O)NC(CCCCN)C(=O)O

InChI

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