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

Systemtic Name: 2-[[3-butan-2-yl-5-oxidanylidene-4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[4-(2-hydroxy-1-methyl-2-oxo-ethyl)-5-oxo-3-sec-butyl-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[3-butan-2-yl-4-(1-hydroxy-1-oxopropan-2-yl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[3-butan-2-yl-4-(1-hydroxy-1-oxopropan-2-yl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[4-(2-hydroxy-2-keto-1-methyl-ethyl)-5-keto-3-sec-butyl-1,4-thiazepan-6-yl]amino]-4-phenyl-butyric acid Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O5S/c1-4-14(2)19-13-30-12-18(20(25)24(19)15(3)21(26)27)23-17(22(28)29)11-10-16-8-6-5-7-9-16/h5-9,14-15,17-19,23H,4,10-13H2,1-3H3,(H,26,27)(H,28,29)