2-[[5-oxidanylidene-4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-3-propan-2-yl-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[5-oxidanylidene-4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-3-propan-2-yl-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[4-(2-hydroxy-1-methyl-2-oxo-ethyl)-3-isopropyl-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[4-(1-hydroxy-1-oxopropan-2-yl)-5-oxo-3-propan-2-yl-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[4-(1-hydroxy-1-oxopropan-2-yl)-5-oxo-3-propan-2-yl-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[4-(2-hydroxy-2-keto-1-methyl-ethyl)-3-isopropyl-5-keto-1,4-thiazepan-6-yl]amino]-4-phenyl-butyric acid Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CSCC(C(=O)N1C(C)C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)C1CSCC(C(=O)N1C(C)C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H30N2O5S/c1-13(2)18-12-29-11-17(19(24)23(18)14(3)20(25)26)22-16(21(27)28)10-9-15-7-5-4-6-8-15/h4-8,13-14,16-18,22H,9-12H2,1-3H3,(H,25,26)(H,27,28)