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

Systemtic Name: 5-azanyl-2-[[5-(carboxymethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]pentanoic acid Openeye Name: 5-amino-2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]pentanoic acid CAS Name: 5-amino-2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]pentanoic acid IUPAC Name: 5-amino-2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]pentanoic acid Traditional Name: 5-amino-2-[[5-(carboxymethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]valeric acid Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S/c17-7-3-4-10(16(23)24)18-11-9-25-13-6-2-1-5-12(13)19(15(11)22)8-14(20)21/h1-2,5-6,10-11,18H,3-4,7-9,17H2,(H,20,21)(H,23,24)