2-[6-[carboxy(3-phenylpropyl)amino]-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[6-[carboxy(3-phenylpropyl)amino]-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[carboxy(3-phenylpropyl)amino]-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[carboxy(3-phenylpropyl)amino]-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[carboxy(3-phenylpropyl)amino]-5-oxo-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[carboxy(3-phenylpropyl)amino]-5-keto-1,4-thiazepan-4-yl]acetic acid Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(C(=O)N1CC(=O)O)N(CCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CSCC(C(=O)N1CC(=O)O)N(CCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H22N2O5S/c20-15(21)11-18-9-10-25-12-14(16(18)22)19(17(23)24)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,20,21)(H,23,24)