2-[[4-(carboxymethyl)-5-oxidanylidene-2-phenyl-1,4-thiazepan-6-yl]amino]-6-piperidin-4-yl-hexanoic acid

Systemtic Name: 2-[[4-(carboxymethyl)-5-oxidanylidene-2-phenyl-1,4-thiazepan-6-yl]amino]-6-piperidin-4-yl-hexanoic acid Openeye Name: 2-[[4-(carboxymethyl)-5-oxo-2-phenyl-1,4-thiazepan-6-yl]amino]-6-(4-piperidyl)hexanoic acid CAS Name: 2-[[4-(carboxymethyl)-5-oxo-2-phenyl-1,4-thiazepan-6-yl]amino]-6-(4-piperidinyl)hexanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-5-oxo-2-phenyl-1,4-thiazepan-6-yl]amino]-6-piperidin-4-ylhexanoic acid Traditional Name: 2-[[4-(carboxymethyl)-5-keto-2-phenyl-1,4-thiazepan-6-yl]amino]-6-(4-piperidyl)hexanoic acid Formula: C24H35N3O5S MolecularWeight: 477.6168

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCCC(C(=O)O)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1CNCCC1CCCCC(C(=O)O)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H35N3O5S/c28-22(29)15-27-14-21(18-7-2-1-3-8-18)33-16-20(23(27)30)26-19(24(31)32)9-5-4-6-17-10-12-25-13-11-17/h1-3,7-8,17,19-21,25-26H,4-6,9-16H2,(H,28,29)(H,31,32)